data_1b8t_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 1b8t _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.707 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.576 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CD2' HG13 ' A' ' 131' ' ' VAL . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.478 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.512 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.564 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG12 ' CD2' ' A' ' 35' ' ' PHE . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CD2' HG23 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' N ' HD11 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' CE1' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.716 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' LYS . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.405 ' OH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.497 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.681 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 170' ' ' TYR . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.492 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.683 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' LYS . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.425 ' N ' ' NZ ' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 126' ' ' TYR . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 143' ' ' PHE . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.652 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.574 HD12 ' CD1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.473 ' CG ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 23' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.664 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.494 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.507 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.677 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CD2' HG21 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.498 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.475 HG23 ' CZ2' ' A' ' 138' ' ' TRP . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG23 ' CD2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.531 HG13 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CD2' HG23 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD2' HG13 ' A' ' 23' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.699 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.421 ' N ' HD12 ' A' ' 36' ' ' LEU . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' O ' ' CG2' ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 47' ' ' THR . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.699 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.577 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.412 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -124.71 116.46 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 41.7 t -79.38 107.73 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.54 61.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 p -80.62 -19.99 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 108.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 79.43 27.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -118.45 149.96 40.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 138.15 45.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 31' ' ' HIS . 19.8 t -104.86 145.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 158.91 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.15 96.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.0 -60.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' GLU . 42.6 mp0 -106.68 -77.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLU . 11.7 pt-20 38.38 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 40.7 t -78.96 117.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -76.17 145.6 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 77.2 m -147.82 156.21 42.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -40.46 116.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 39.33 52.82 2.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 175.59 172.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.4 p -161.67 132.8 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.1 m-85 -137.46 167.63 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 17' ' ' VAL . 73.3 m80 -60.44 168.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 2.0 tttm -60.48 -44.08 96.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.37 34.26 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 m -129.52 21.69 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 108.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -129.01 86.66 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -144.79 134.43 23.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.7 t -47.67 112.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 5.89 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.681 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 54.1 t -101.86 -73.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -72.44 -23.34 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.347 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER 81.45 23.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.01 134.49 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' N ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-80 -45.15 153.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 49' ' ' VAL . 10.1 mt -117.37 174.11 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.21 166.41 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 94.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -167.33 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 48' ' ' THR . 14.9 t -166.9 59.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG22 ' CE1' ' A' ' 35' ' ' PHE . 4.2 p -110.49 159.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.7 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -151.88 163.3 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' C ' ' OH ' ' A' ' 62' ' ' TYR . 3.3 t -124.22 166.66 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -164.35 121.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.04 -107.05 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.25 43.33 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mp0 -148.87 164.21 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -131.38 135.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.681 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 9.0 m-85 -140.67 166.57 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 17.1 p -93.64 134.54 35.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CB ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -41.16 -55.98 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LYS . 47.8 t -38.65 -42.06 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.3 m -70.62 -57.95 4.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.7 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 6.0 m-85 -40.31 -51.37 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.72 79.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -39.42 81.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -53.84 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 23.4 m-85 -57.84 -18.71 23.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.88 151.24 5.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.53 161.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.6 p 177.81 144.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -173.89 150.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -177.95 85.31 0.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.56 42.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.2 t -172.63 144.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 26.6 p-10 177.6 99.85 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.96 154.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -179.46 155.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.98 153.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.64 152.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.76 -156.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -124.42 171.58 16.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.81 108.01 51.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.98 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.405 ' HA ' ' NH1' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -95.91 -71.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.464 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 23.1 p -76.56 -30.95 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.75 -23.29 31.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.18 143.24 57.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -62.61 160.2 14.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 139' ' ' HIS . 95.7 t -133.07 119.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -153.34 138.68 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 67.16 -159.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.66 140.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.93 58.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -144.77 100.25 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.1 p -93.27 148.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.41 115.76 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.63 18.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 45.6 59.97 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.03 40.03 1.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -144.02 166.05 26.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -125.44 147.78 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -166.28 171.28 12.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 125' ' ' VAL . 41.6 m80 -71.64 126.28 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 4.8 tttt -67.73 69.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.5 t 170.62 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.6 p -72.3 -30.65 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.57 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -121.4 148.09 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.99 127.65 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.51 35.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 -46.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.11 -21.2 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.79 72.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.68 158.37 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.7 p -82.27 145.13 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.05 -174.44 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 -64.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 156' ' ' THR . 0.6 OUTLIER -160.57 151.55 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 157' ' ' LEU . 69.3 m 67.85 -64.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' SER . 67.8 p -44.69 -26.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -73.37 146.51 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -127.64 118.88 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 38.8 p-10 -90.54 95.87 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -118.33 126.31 51.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 33.6 t0 55.25 27.67 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.83 -28.73 6.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -69.2 163.24 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -122.09 129.4 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 36.3 m-85 -138.04 -173.7 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.7 p -94.76 148.0 22.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -45.98 -42.18 12.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.08 -31.33 65.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 2.2 m -79.08 -46.62 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.518 ' CG ' ' HB2' ' A' ' 158' ' ' ALA . 2.5 t80 -57.75 -31.95 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.35 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 173' ' ' ASN . 60.2 mttm -47.92 -66.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.4 t-20 -38.35 -33.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' ALA . 81.3 m-85 -119.03 58.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.44 44.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -89.63 108.87 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.42 5.05 61.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.624 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -97.04 -67.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.7 p -78.91 -27.5 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 86.57 28.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -119.09 150.76 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 154.68 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 10' ' ' CYS . 46.0 t -132.52 144.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.421 ' N ' HG13 ' A' ' 17' ' ' VAL . 17.5 m-85 -80.49 -179.84 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -93.93 78.35 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 169.85 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 25.5 pt-20 -60.17 -37.04 78.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -39.21 130.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG12 ' CD2' ' A' ' 35' ' ' PHE . 69.4 t -122.14 118.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -80.51 136.86 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.407 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 3.8 t -141.5 139.48 33.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 105.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.75 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.4 176.91 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -113.58 132.07 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.5 m-85 -127.63 170.99 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' ND1' ' SG ' ' A' ' 13' ' ' CYS . 49.3 m80 -58.2 171.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -71.06 -45.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.8 p -72.07 -35.55 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.42 -42.16 81.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' HG12 ' A' ' 23' ' ' VAL . 1.3 t80 -68.5 75.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -136.66 134.41 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' CA ' HD13 ' A' ' 44' ' ' LEU . 49.7 t -48.47 112.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 9.67 4.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.689 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 45.0 t -105.14 -68.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 13.1 p -78.57 -27.31 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.321 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 87.75 24.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.24 129.0 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -56.2 146.44 23.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 HD13 ' CA ' ' A' ' 37' ' ' CYS . 14.9 mt -124.74 115.83 21.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.62 61.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.49 171.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.1 p -55.78 -165.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 48' ' ' THR . 2.1 m 62.71 12.62 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -100.81 148.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.647 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -129.81 162.85 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.406 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 3.6 t -123.64 168.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 t60 -165.65 108.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.48 -108.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.36 38.96 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 21.5 mm-40 -146.71 157.81 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -122.92 139.75 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.9 m-85 -144.52 142.56 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 18.8 p -75.67 137.63 40.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -44.66 -56.26 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.4 m -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 5.6 m -68.31 -56.52 8.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.647 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 2.4 m-85 -43.81 -51.06 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.87 -30.68 70.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.24 92.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.95 -60.37 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -56.58 -21.73 28.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.48 173.27 46.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.48 171.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.21 170.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.81 174.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 ttp-105 -178.99 94.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -170.86 165.58 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -173.48 99.71 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -173.76 159.6 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.92 171.05 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.2 p -177.37 169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.73 165.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -179.03 168.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.99 -154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.26 21.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 42.5 t -101.79 106.49 47.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.612 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 -0.04 9.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.69 -66.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 19.2 p -82.52 -38.47 23.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.36 -24.36 9.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.39 144.24 57.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -60.67 164.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -134.01 116.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -155.65 -58.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.03 -171.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.27 149.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 80.2 58.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -120.87 97.51 5.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.8 p -90.64 151.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.5 mt -138.24 114.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.88 152.23 24.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 47.23 57.88 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.06 38.84 0.84 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.562 ' HE3' ' CH2' ' A' ' 138' ' ' TRP . 0.4 OUTLIER -142.73 161.54 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.426 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -121.27 142.03 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.643 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.6 -175.94 5.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.5 m80 -81.36 139.68 35.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -78.22 50.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 p -158.21 -43.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 1.7 m -81.83 -29.06 32.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.647 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.6 t80 -52.75 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 0.5 OUTLIER -125.74 159.9 31.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.19 130.86 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.52 38.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -141.38 -47.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.08 -21.85 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.75 86.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -60.75 126.94 29.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.474 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 30.7 t -68.7 141.11 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.86 -174.01 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -154.06 -58.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 p 167.06 78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.402 ' C ' ' CG2' ' A' ' 156' ' ' THR . 32.8 p -141.32 -63.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 155' ' ' THR . 61.2 p -151.74 70.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -102.16 139.07 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.496 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -95.25 152.95 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.452 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 0.7 OUTLIER -130.45 100.47 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.513 ' HE3' ' CZ ' ' A' ' 174' ' ' PHE . 0.4 OUTLIER -94.88 89.51 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 37.67 69.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 95.64 -52.32 1.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -56.25 151.27 12.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -131.73 132.54 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 59.9 m-85 -141.23 -178.51 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 169' ' ' CYS . 27.1 p -94.76 145.99 24.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -46.74 -40.71 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.45 63.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.9 m -81.76 -47.58 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.51 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 2.2 t80 -57.96 -32.29 67.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.55 -63.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 173' ' ' ASN . 33.9 mttp -46.78 -61.99 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.497 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 59.3 t-20 -39.21 -39.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.513 ' CZ ' ' HE3' ' A' ' 160' ' ' LYS . 1.5 m-85 -121.2 60.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -130.98 119.15 21.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -79.58 106.54 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.9 4.12 62.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.52 -68.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.04 -23.82 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.74 27.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' NZ ' ' H ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -117.72 149.81 40.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.645 ' H ' ' NZ ' ' A' ' 15' ' ' LYS . . . -69.23 145.73 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 31' ' ' HIS . 48.4 t -115.1 158.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.14 131.09 41.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.97 101.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.83 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -143.67 49.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.09 150.26 23.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 45.3 t -127.8 123.05 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -104.01 146.35 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.94 135.51 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.45 104.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.74 -55.52 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -154.11 172.88 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.16 134.38 51.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 2.0 m-85 -132.06 164.93 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CD2' HG23 ' A' ' 17' ' ' VAL . 66.7 m80 -57.49 160.21 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.2 tttp -57.07 -38.11 72.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.99 20.45 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 16.6 m -120.72 28.2 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 6.2 t80 -124.97 68.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -134.57 134.51 41.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 49.6 t -47.95 113.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 9.27 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.652 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -103.68 -67.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -79.85 -26.42 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 5.1 tttt 87.28 23.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 129.82 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.72 146.88 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 37' ' ' CYS . 18.2 mt -124.84 156.76 37.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -153.88 78.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.47 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.9 m 55.03 167.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 48' ' ' THR . 26.9 m 62.61 109.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 47' ' ' THR . 1.9 m 84.46 -45.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 46' ' ' SER . 12.3 p -49.09 144.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -132.49 166.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.68 147.25 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 32.8 t-80 -155.83 122.1 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.53 -101.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -129.49 52.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -165.9 160.03 16.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -110.67 142.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.652 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 24.6 m-85 -146.29 129.02 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 25.7 p -65.13 143.56 57.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 108.269 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.11 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -30.36 -58.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.5 m -50.59 -60.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.54 -61.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.85 -21.65 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -76.8 -38.75 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -57.96 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -63.98 -45.79 87.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.56 156.96 8.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.36 167.13 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 165.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 174.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 93.85 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.88 6.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -171.58 161.66 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.6 t30 179.7 99.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -162.54 167.65 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.47 175.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.8 p 178.57 169.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 168.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ttp -178.9 162.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 125' ' ' VAL . 1.3 m-20 179.17 175.58 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -96.81 171.46 27.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 40.8 t -98.17 108.96 49.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 18.2 Cg_endo -75.06 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -94.58 -69.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.6 p -80.04 -34.99 37.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.27 22.99 11.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 137.95 46.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.462 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.41 148.25 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 139' ' ' HIS . 57.7 t -129.72 116.03 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -178.02 129.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . 77.59 93.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 61.65 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.66 48.11 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 3.7 pttp -135.73 118.0 15.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.8 p -114.52 146.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.45 115.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.47 152.21 24.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 49.59 40.93 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.46 41.05 71.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.42 159.94 43.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.478 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -116.12 138.91 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.685 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -161.8 173.76 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 35.3 m80 -80.11 117.82 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.643 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 131' ' ' VAL . 0.7 OUTLIER -43.68 -27.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -66.65 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.91 -45.71 92.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.586 ' CD2' HG12 ' A' ' 131' ' ' VAL . 2.2 t80 -47.42 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 21.5 ptt85 -144.09 144.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.5 t -41.82 129.24 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 108.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.19 33.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -135.32 -46.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.6 p -110.11 -18.02 13.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.9 0.03 89.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 121.96 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 36.7 t -60.15 144.23 50.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -175.04 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 140' ' ' LYS . 1.8 mt-10 -143.74 -68.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.3 p 168.62 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 m -157.73 -58.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 10.1 t -105.25 43.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -102.71 144.84 30.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -126.41 119.61 27.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 5.1 p-10 -97.8 105.38 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.71 91.86 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 160' ' ' LYS . 50.2 m-20 40.56 58.87 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.75 -51.49 0.98 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 3.5 mt-10 -53.96 161.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.0 pt -135.62 131.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 60.7 m-85 -144.78 -175.12 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.0 p -99.28 149.11 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -46.62 -42.88 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.33 -29.8 60.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 3.6 m -83.23 -47.32 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 2.4 t80 -57.59 -31.45 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.88 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 38.5 mttt -48.06 -65.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.5 t-20 -38.54 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 171' ' ' ALA . 80.2 m-85 -120.39 58.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -135.28 118.74 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 38.5 t -73.9 107.98 6.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.46 61.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.03 -67.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -78.56 -25.61 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 108.27 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.3 tp-100 85.99 27.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -119.13 145.25 46.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.12 12.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.492 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 21.8 t -126.99 158.58 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -132.71 131.69 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.8 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.2 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -144.74 50.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 32.7 tt0 -105.54 148.03 27.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 60.2 t -124.17 118.65 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.6 pt20 -107.55 136.54 47.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.17 145.2 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 116.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.44 -53.89 0.64 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -167.04 173.2 9.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 95.0 p -125.55 135.64 52.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -127.12 163.43 23.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 44.6 m80 -61.12 143.6 55.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -42.34 -55.8 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.18 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 m -62.02 -45.93 91.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 6.1 t80 -64.46 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 1.2 tt -134.74 139.72 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 47.2 t -51.45 113.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.7 mmt -78.77 10.97 2.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.706 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 38.6 t -107.13 -69.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.5 p -78.05 -27.46 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 87.52 25.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -102.2 125.35 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 1.2 t30 -59.53 148.92 31.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 49' ' ' VAL . 2.1 mt -128.43 164.39 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -116.78 -80.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.502 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER 175.42 94.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 46' ' ' SER . 33.7 p -157.0 -54.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 14.5 t -143.95 47.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 44' ' ' LEU . 8.1 p -100.89 150.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -124.39 164.41 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.38 158.6 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 t60 -153.12 110.4 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.22 -98.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.73 46.38 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -151.97 166.67 30.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -126.14 138.38 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.706 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.7 m-85 -143.33 141.22 30.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 22.2 p -73.5 137.17 44.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.91 -62.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -33.61 -52.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.3 m -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.551 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.18 -54.2 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.86 -21.82 71.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' CYS . 2.5 mtmt -76.37 -35.31 58.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -73.7 -60.61 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -64.72 -48.37 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.09 156.88 10.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.89 168.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 170.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 174.28 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -171.86 95.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 t -170.42 160.07 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -169.92 131.55 1.0 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.82 5.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -153.58 166.88 31.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.31 173.71 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -177.55 170.38 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.51 168.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -164.03 -153.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.44 172.76 21.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.6 t -101.49 107.53 51.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.97 1.19 8.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -70.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 18.6 p -77.66 -29.45 51.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 108.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.61 22.94 27.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.55 135.98 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.88 152.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -133.24 123.69 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -166.39 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . -110.21 119.78 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.31 132.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.11 54.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -122.18 112.93 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.595 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.6 p -133.06 148.44 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mp -128.52 115.09 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.62 149.96 22.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 49.44 49.03 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.0 36.63 21.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.37 163.77 32.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.435 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 2.1 p -123.96 139.57 53.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.671 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -163.48 174.85 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 39.7 m80 -78.07 121.44 24.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 131' ' ' VAL . 25.2 ttpt -48.12 -23.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -71.6 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.64 -45.19 93.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.4 t80 -46.09 98.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 8.5 ptt85 -140.97 156.13 46.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.3 t -52.33 127.95 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.43 35.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -46.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.04 -21.46 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.46 19.52 64.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.29 118.16 24.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 79.1 p -55.85 140.02 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.43 -173.92 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.15 -49.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t 179.38 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.041 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.0 m -84.71 160.21 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.9 m 62.81 25.43 15.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -116.45 132.9 56.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.51 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -94.79 142.74 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.18 98.82 4.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 78.51 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.64 -77.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -115.99 -27.21 3.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.8 mp0 -77.3 156.92 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.9 pt -133.21 139.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 45.8 m-85 -148.95 -174.39 4.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.7 p -100.94 143.02 31.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -46.16 -40.64 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.47 -30.93 59.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 10.2 m -83.8 -49.06 9.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 3.3 t80 -54.87 -30.88 58.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.18 -63.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 7.0 mmtm -48.34 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.3 t30 -39.67 -30.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -115.02 54.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.58 115.2 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 43.1 t -69.91 107.76 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.67 1.07 63.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 30' ' ' PHE . 1.9 t -92.74 -72.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 15.1 p -72.84 -27.22 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 88.16 21.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -102.65 -175.57 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.88 125.85 54.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.541 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 3.3 t -94.47 118.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -97.17 -62.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.73 104.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.52 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 32' ' ' LYS . 6.3 pt-20 -169.1 61.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.02 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 48.1 t -118.35 117.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.7 pp0? -101.93 140.44 36.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.88 134.56 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.1 105.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.39 -56.28 0.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -153.62 171.65 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 90.0 p -135.61 140.27 44.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CD1' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -136.93 166.74 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 69.8 m80 -65.11 140.2 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -40.25 -54.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -44.14 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.19 -45.24 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 7.3 t80 -61.8 88.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -139.39 134.06 31.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.6 t -44.53 112.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.57 6.31 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.686 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 54.4 t -101.73 -72.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.1 p -73.39 -25.04 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.8 tptm 83.34 24.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.49 136.89 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' N ' HD13 ' A' ' 36' ' ' LEU . 9.6 p-10 -45.45 145.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD11 ' CG2' ' A' ' 49' ' ' VAL . 8.5 mt -128.0 156.28 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.4 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -75.54 60.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 48' ' ' THR . 2.3 m -158.47 126.13 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 9.4 t 45.41 38.13 3.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.1 p -110.2 156.01 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . . . -142.54 164.23 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -121.88 157.21 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 177.49 153.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 45.11 55.2 6.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER 39.35 43.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -149.63 173.9 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -114.93 137.54 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.686 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 15.1 m-85 -143.46 141.9 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' LYS . 30.0 p -71.02 146.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -38.13 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 48.1 m -32.73 -69.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' LYS . 38.7 m -41.78 -54.07 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.22 -56.02 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.62 -18.25 67.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -76.0 -50.65 14.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.81 -48.16 75.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.2 m-85 -65.73 -48.55 71.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.02 160.12 32.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -148.99 137.61 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 147.9 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.56 173.57 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.37 88.33 0.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -144.34 142.58 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -147.11 132.66 9.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.34 7.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -169.72 120.39 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.0 140.84 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -159.85 150.53 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.84 148.59 28.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtp -118.0 149.13 41.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER -178.26 171.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -95.28 170.17 28.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.4 t -96.91 109.97 51.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.578 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -93.17 -69.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -81.81 -35.21 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.64 -27.4 10.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.09 143.32 48.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.453 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -64.12 157.27 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.566 HG23 ' CD2' ' A' ' 139' ' ' HIS . 57.5 t -131.52 116.04 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 127' ' ' ALA . 20.5 p90 -154.26 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 126' ' ' TYR . . . -85.56 -168.52 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.22 156.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 69.13 54.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.467 ' CG ' HG12 ' A' ' 125' ' ' VAL . 17.2 ttpt -130.87 132.88 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.586 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.3 p -130.23 147.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.3 mt -126.78 115.86 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.34 154.98 25.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 47.83 49.26 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.65 40.47 11.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.56 165.58 29.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.96 138.03 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.676 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.98 172.53 18.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.566 ' CD2' HG23 ' A' ' 125' ' ' VAL . 38.0 m80 -79.4 119.98 23.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -43.77 -27.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -68.38 -55.12 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 144' ' ' ARG . 4.7 m -67.35 -56.95 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.586 ' CD2' HG11 ' A' ' 131' ' ' VAL . 1.1 t80 -34.53 95.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -133.93 148.54 51.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.0 t -54.97 129.08 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -136.12 -47.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.64 -21.47 12.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.16 76.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.36 156.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 p -90.15 133.82 34.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 -175.0 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.3 52.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.14 -57.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 15.0 t -80.42 159.44 25.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.5 m 54.43 32.14 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -114.05 160.74 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.518 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -136.46 124.25 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 3.2 p-10 -104.1 102.04 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.99 90.93 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.9 t70 39.63 64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.37 -50.89 1.62 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.7 mp0 -54.9 156.33 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 143' ' ' PHE . 1.6 pt -133.08 129.71 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 58.8 m-85 -141.74 -174.5 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -99.64 147.53 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -42.32 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.07 -30.76 60.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.3 m -82.2 -47.57 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.518 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.3 t80 -57.11 -31.71 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.75 -64.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 10.3 mmtp -48.63 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.0 t30 -39.04 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' N ' ' C ' ' A' ' 172' ' ' LYS . 76.6 m-85 -118.02 56.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.707 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.576 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CD2' HG13 ' A' ' 131' ' ' VAL . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.478 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.512 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.564 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG12 ' CD2' ' A' ' 35' ' ' PHE . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CD2' HG23 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' N ' HD11 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' CE1' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.716 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' LYS . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.405 ' OH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.497 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.681 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 170' ' ' TYR . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.492 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.683 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' LYS . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.425 ' N ' ' NZ ' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 126' ' ' TYR . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 143' ' ' PHE . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.652 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.574 HD12 ' CD1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.473 ' CG ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 23' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.664 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.494 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.507 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.677 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CD2' HG21 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.498 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.475 HG23 ' CZ2' ' A' ' 138' ' ' TRP . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG23 ' CD2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.531 HG13 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CD2' HG23 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD2' HG13 ' A' ' 23' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.699 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.421 ' N ' HD12 ' A' ' 36' ' ' LEU . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' O ' ' CG2' ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 47' ' ' THR . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.699 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.577 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.412 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -133.77 117.19 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.2 t -78.52 107.31 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.94 7.42 55.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 HG21 ' CG ' ' A' ' 30' ' ' PHE . 2.0 t -98.37 -66.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.2 p -82.14 -23.69 35.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tt0 84.47 28.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 149.62 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' A' ' 31' ' ' HIS . . . -58.09 153.85 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 10' ' ' CYS . 96.9 t -117.67 157.12 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.422 ' N ' HG11 ' A' ' 17' ' ' VAL . 6.8 t80 -164.71 179.9 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.68 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.55 -17.44 62.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' CD ' ' A' ' 32' ' ' LYS . 11.8 pt-20 -56.91 -33.26 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.12 125.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 35' ' ' PHE . 73.3 t -109.82 116.83 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.44 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 7.3 pt20 -100.48 166.53 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.22 159.17 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.33 117.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.15 51.79 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 166.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.44 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 81.1 p 178.65 132.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CG ' HG21 ' A' ' 12' ' ' VAL . 1.2 m-85 -135.9 179.72 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 49.4 m80 -72.18 160.88 31.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' CD ' ' HB2' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -59.76 -46.0 90.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -68.72 -31.68 70.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.28 -52.98 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.344 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -39.47 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -157.73 147.51 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -67.09 114.39 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 7.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.695 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 51.3 t -101.85 -67.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -79.4 -23.33 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER 81.0 24.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -100.69 129.81 46.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' N ' HD12 ' A' ' 36' ' ' LEU . 30.9 m120 -41.11 148.62 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 49' ' ' VAL . 12.5 mt -114.33 143.95 44.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.61 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.4 p -44.68 168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -83.42 67.98 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' LYS . 5.0 t -176.35 48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 35' ' ' PHE . 5.0 p -108.68 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' TYR . . . -165.58 163.88 19.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.7 162.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -147.34 143.6 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.624 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 70.99 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 163.16 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.94 -179.34 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.526 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 3.2 tt -107.63 143.71 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.695 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.8 m-85 -139.93 171.2 14.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' LYS . 7.7 p -107.15 148.64 28.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.29 -66.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 59' ' ' LYS . 35.9 t -30.26 -71.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.6 m -43.18 -55.06 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.284 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.8 t80 -44.65 -55.88 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.14 -18.17 64.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -77.41 -54.27 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.779 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 4.4 m-85 -66.46 -48.83 68.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.67 141.1 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -177.61 148.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 146.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -175.64 158.18 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.79 18.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.68 28.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -123.26 169.13 11.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -167.12 99.85 0.64 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -151.72 164.97 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.75 139.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -152.18 155.06 37.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -179.46 145.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.45 151.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -158.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.43 171.35 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -98.11 108.22 45.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.525 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -3.59 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.88 -42.56 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.59 -24.83 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' C ' HG22 ' A' ' 125' ' ' VAL . . . -100.15 161.45 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.603 HG21 ' CD2' ' A' ' 139' ' ' HIS . 64.3 t -133.33 116.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 126' ' ' TYR . 9.7 p90 -160.51 128.94 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 73.29 -155.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.04 134.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.0 61.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -148.95 95.32 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.607 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -90.79 147.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.82 116.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.93 155.67 26.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 164' ' ' ILE . . . 47.42 48.97 16.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.37 41.82 12.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 170.1 18.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 13.1 m -126.69 138.77 53.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.687 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.56 171.45 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.603 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.0 m80 -73.1 128.27 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.405 ' NZ ' HG21 ' A' ' 131' ' ' VAL . 1.4 ttmm -56.2 -17.31 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -51.33 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.6 m -68.73 -58.74 3.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.607 ' CD2' HG12 ' A' ' 131' ' ' VAL . 1.2 t80 -30.32 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.477 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -140.92 147.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.3 t -45.87 126.17 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.35 33.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -133.98 -46.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 16.5 p -110.22 -23.32 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.46 22.38 56.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 111.76 21.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.9 m -53.29 135.35 38.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -106.33 -175.69 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.0 OUTLIER 163.48 -60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.8 p -51.33 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 156' ' ' THR . 14.5 t -174.26 -142.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 155' ' ' THR . 82.6 p 42.65 53.5 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.462 HD23 ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -120.25 131.74 55.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.516 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -95.88 150.06 20.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -130.6 99.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.3 OUTLIER -96.2 89.34 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 4.4 m-20 38.41 79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.51 -47.34 3.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 24.6 mt-10 -59.99 148.33 35.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.579 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -131.88 131.41 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.2 m-85 -141.28 -176.81 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 169' ' ' CYS . 20.3 p -100.77 145.59 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 108.346 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -43.09 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.469 ' O ' ' CD ' ' A' ' 172' ' ' LYS . . . -55.26 -33.01 57.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.4 m -82.03 -48.17 11.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.604 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 3.8 t80 -54.77 -30.23 56.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -84.12 -60.31 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 168' ' ' GLY . 1.4 mptt -47.87 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 1.7 t30 -39.88 -29.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 6.7 m-85 -113.72 55.43 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 117.13 23.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . 49.0 t -82.02 106.19 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.47 5.24 61.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.24 -67.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 26.9 p -81.45 -25.28 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 85.05 29.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 164.18 15.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.32 147.27 31.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.2 t -122.13 165.95 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 28.3 t80 -95.27 162.39 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 50.8 t80 -83.81 69.42 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . 174.46 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -33.15 75.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -38.95 131.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 t -113.36 119.75 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -106.78 160.36 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -172.41 132.71 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.21 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.41 28.98 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.6 m -137.34 169.09 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.7 p -152.15 127.3 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.0 m-85 -139.95 164.11 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 17' ' ' VAL . 78.0 m80 -50.39 160.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -78.76 55.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -173.0 -46.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 56.6 m -53.85 -27.98 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.367 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD1' HD13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -62.94 79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -137.85 132.94 33.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 41.9 t -44.04 114.86 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.83 13.4 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.3 t -111.34 -71.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -76.07 -26.78 56.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tttt 85.86 24.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.02 129.29 46.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD11 ' A' ' 36' ' ' LEU . 27.3 p-10 -60.69 146.42 45.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -118.07 156.15 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 -69.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.08 115.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.67 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 8.9 t -141.27 42.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 50' ' ' ALA . 7.3 p -88.36 146.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' HG22 ' A' ' 49' ' ' VAL . . . -126.72 164.12 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.403 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 4.3 t -121.21 162.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 4.6 t60 -161.82 123.26 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.3 -120.27 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.6 53.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -166.0 162.91 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -124.86 140.51 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.658 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 13.1 m-85 -139.67 147.48 41.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 20.5 p -80.77 139.14 36.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.41 -61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -34.57 -50.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 13.0 m -60.93 -55.77 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -44.24 -49.74 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.49 79.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -73.45 -38.45 65.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -76.8 -64.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.1 -32.3 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.85 -176.39 40.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.93 171.08 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 p -172.69 169.95 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -170.35 174.66 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -166.08 148.81 6.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.43 4.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -169.01 165.6 11.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.42 99.84 0.29 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.3 p30 177.77 155.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.28 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.8 p -179.14 167.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 177.96 152.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -167.45 168.31 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.7 -154.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.35 171.5 20.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.5 t -101.35 107.79 52.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.4 Cg_endo -74.99 0.75 8.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 21.3 p -78.3 -32.21 49.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.249 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.79 -22.89 29.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.04 140.37 58.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.67 163.35 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 139' ' ' HIS . 72.4 t -134.61 126.85 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -131.39 179.68 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -57.87 100.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 165.41 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.33 52.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.433 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -107.34 131.58 54.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.19 140.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.419 HD11 ' NZ ' ' A' ' 130' ' ' LYS . 5.3 mp -108.63 115.9 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.17 143.5 11.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 50.65 36.92 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.0 40.73 95.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -148.37 164.87 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.615 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.5 OUTLIER -110.26 143.14 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.661 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.24 168.14 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CD2' HG21 ' A' ' 125' ' ' VAL . 40.4 m80 -70.87 119.55 15.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.0 OUTLIER -64.85 76.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER 156.08 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -90.0 -24.83 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -36.37 101.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 149' ' ' GLY . 6.4 mtm180 -117.65 149.48 40.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.18 129.14 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.295 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.77 34.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 -47.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.4 p -110.67 -18.57 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.444 ' O ' ' CZ ' ' A' ' 144' ' ' ARG . . . 88.14 -5.7 84.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 149' ' ' GLY . 13.6 tttt -46.7 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.56 114.27 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -112.54 169.73 8.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 154' ' ' SER . 0.1 OUTLIER 166.26 47.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 153' ' ' GLU . 3.4 t 163.56 101.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 154' ' ' SER . 20.6 m 36.64 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 152' ' ' LEU . 0.6 OUTLIER 177.94 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.512 HD23 ' CZ ' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -62.64 144.17 56.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -128.88 120.8 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 5.1 p-10 -89.62 98.09 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -109.42 111.32 22.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 50.05 43.27 25.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.58 -37.54 3.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 8.1 mm-40 -59.08 160.78 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.568 HG12 ' CH2' ' A' ' 138' ' ' TRP . 2.5 pt -125.55 131.53 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 38.0 m-85 -142.24 -174.19 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 22.8 p -100.27 147.26 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.34 -43.96 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.21 -33.49 57.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.59 -46.7 16.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -81.7 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.8 mmmt -45.27 -58.24 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.2 m120 -38.36 -44.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 160' ' ' LYS . 2.9 m-85 -135.14 64.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -130.83 126.68 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -83.07 108.64 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.68 4.36 60.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.145 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.64 -68.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.4 p -77.8 -23.29 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 82.75 26.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -119.67 147.71 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.9 152.6 44.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.5 t -127.99 158.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -96.37 169.17 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.21 81.86 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.32 -60.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.48 -35.6 53.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 -38.84 124.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG12 ' CD2' ' A' ' 35' ' ' PHE . 69.8 t -116.41 118.21 58.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.5 mt-30 -91.19 143.08 27.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.74 135.96 25.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -39.01 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.31 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -156.5 174.68 15.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 85.9 p -128.29 143.25 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.3 m-85 -138.71 173.03 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CD2' HG22 ' A' ' 17' ' ' VAL . 43.9 m80 -57.51 170.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -57.4 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -29.53 69.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.1 -40.89 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CD2' HG12 ' A' ' 23' ' ' VAL . 1.8 t80 -69.51 72.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 56' ' ' ILE . 1.2 tt -138.62 132.2 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 47.2 t -44.78 113.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -80.06 8.71 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.665 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 53.7 t -102.33 -66.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 19.4 p -81.23 -28.04 34.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.344 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 88.35 27.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 130.3 50.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.466 ' CA ' HD13 ' A' ' 36' ' ' LEU . 5.1 t30 -56.27 143.93 32.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 37' ' ' CYS . 44.2 mt -125.31 131.37 53.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.78 -70.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.5 167.46 21.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.5 OUTLIER 61.04 134.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.1 m 83.76 -43.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 50' ' ' ALA . 1.4 p -61.18 138.92 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -123.18 164.8 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.21 138.86 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -140.73 130.0 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.05 -97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -137.25 52.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -158.76 160.69 36.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.507 ' CD1' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.33 143.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.665 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 50.7 m-85 -147.79 174.56 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.5 p -101.07 140.4 35.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -36.81 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 59' ' ' LYS . 31.5 t -30.09 -70.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 36.4 m -41.53 -56.08 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.2 t80 -45.54 -53.98 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -17.88 65.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -78.18 -53.41 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -46.6 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 10.0 m-85 -66.89 -49.59 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -163.19 135.15 3.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.92 161.41 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.55 168.87 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 99' ' ' ARG . 83.4 t60 -176.92 167.13 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' N ' ' CG ' ' A' ' 98' ' ' HIS . 1.3 ptt180 -172.22 148.86 2.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.93 5.45 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -172.4 136.4 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -161.26 125.03 1.94 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.19 4.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.44 136.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.39 146.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.8 p -179.17 143.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.96 144.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 148.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -154.41 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.37 171.93 22.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 38.2 t -98.38 109.48 52.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -69.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -80.98 -35.17 32.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.5 -27.42 10.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.18 141.06 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.94 161.87 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.557 HG22 ' CD2' ' A' ' 139' ' ' HIS . 94.1 t -135.83 120.39 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.05 -53.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.0 -167.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.39 149.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.34 56.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.21 93.45 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 143' ' ' PHE . 8.9 p -91.83 148.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 38.7 mm -127.94 115.5 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.89 156.12 26.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 45.95 50.79 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.62 43.61 6.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.69 168.46 23.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 132' ' ' ILE . 12.2 t -124.6 138.93 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.686 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -157.25 172.15 19.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 125' ' ' VAL . 37.3 m80 -75.41 125.24 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -53.1 -20.31 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 12.0 p -77.4 -46.58 22.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 143' ' ' PHE . 21.3 m -72.27 -61.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 131' ' ' VAL . 0.7 OUTLIER -32.67 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -134.88 145.84 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 46.6 t -45.93 123.73 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.25 31.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 2.7 tptp -131.15 -45.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.2 p -109.97 -22.05 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.27 19.84 61.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 114.4 25.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 59.8 p -51.01 134.08 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -172.98 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.44 -59.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 t -176.47 147.37 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 156' ' ' THR . 99.2 m 64.11 172.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 155' ' ' THR . 15.1 t 46.94 30.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -112.97 133.36 54.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.519 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -96.99 100.29 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -85.68 97.31 10.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 162' ' ' GLY . 8.9 tptm -89.77 96.54 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.87 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -116.58 -31.16 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -75.37 162.88 28.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 0.804 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.433 HG23 ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -139.82 134.23 37.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.415 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 31.4 m-85 -135.34 -174.32 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 169' ' ' CYS . 19.0 p -98.36 143.45 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 -40.96 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.79 -31.28 57.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.9 m -82.8 -47.58 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.519 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 4.1 t80 -56.29 -30.5 62.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.17 -65.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -48.54 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 29.7 t-20 -39.02 -31.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 172' ' ' LYS . 70.5 m-85 -117.52 56.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -125.1 114.16 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' SG ' ' HB ' ' A' ' 12' ' ' VAL . 46.4 t -73.06 107.55 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.06 61.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 ' CG ' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.4 p -80.78 -23.94 38.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.253 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 85.06 27.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -118.23 144.87 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 134.55 42.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 31' ' ' HIS . 17.5 t -101.17 146.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -92.55 -57.47 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 178.81 162.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 76.07 -57.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.93 -45.34 92.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.3 120.79 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG13 ' CD2' ' A' ' 35' ' ' PHE . 43.6 t -124.24 117.78 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.82 157.02 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -159.16 83.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 38.72 62.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.37 -50.73 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 m -68.13 173.48 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.036 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 5.6 t -160.84 128.28 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.8 m-85 -141.75 163.8 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 17' ' ' VAL . 69.8 m80 -60.51 144.39 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -47.51 -44.46 25.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -69.03 -35.63 76.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -63.67 -51.93 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -58.83 95.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -146.32 134.61 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 39' ' ' VAL . 48.8 t -50.85 111.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 3.09 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.71 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 47.8 t -97.11 -73.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -72.47 -21.6 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 3.6 ttmt 79.27 22.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -100.29 135.72 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-80 -47.09 145.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . 8.2 mt -126.96 103.16 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -161.07 86.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -176.43 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -174.08 174.18 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.461 HG23 ' CB ' ' A' ' 59' ' ' LYS . 8.9 m 62.66 52.93 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 44' ' ' LEU . 1.5 p -119.03 174.72 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.96 164.76 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.01 171.17 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 54.0 t60 -165.54 102.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.27 -107.62 0.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -113.12 43.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -153.15 160.25 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -125.52 137.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.71 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 16.2 m-85 -140.59 148.5 41.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' LYS . 24.8 p -78.04 149.28 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.45 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 59' ' ' LYS . 46.5 t -31.54 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 31.8 m -41.35 -59.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CD2' ' HE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -43.42 -52.99 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.74 -23.08 66.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -75.61 -46.53 31.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -62.72 -48.36 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HE2' ' CD2' ' A' ' 62' ' ' TYR . 15.0 m-85 -67.03 -47.82 70.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.28 172.05 44.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 165.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -178.0 170.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -175.61 174.42 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.571 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.42 94.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.93 5.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -138.82 178.02 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -143.52 132.68 11.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.06 6.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -139.75 166.45 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.78 174.87 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.57 169.49 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.64 167.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.0 ptp -170.82 167.17 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.42 -158.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.38 171.5 21.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 139' ' ' HIS . 49.1 t -101.8 106.46 47.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.581 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -1.0 10.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.774 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -88.14 -65.77 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.481 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 22.6 p -84.87 -39.83 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.56 -27.58 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.53 145.87 47.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.41 163.2 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 139' ' ' HIS . 97.7 t -133.54 124.05 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 7.0 p90 -127.54 -51.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -169.32 -173.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 77.34 -56.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -134.28 44.53 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.467 ' CD ' HD13 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -90.65 153.03 20.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 138' ' ' TRP . 5.1 p -146.29 145.85 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.467 HD13 ' CD ' ' A' ' 130' ' ' LYS . 5.3 mp -128.82 115.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.95 151.94 23.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 48.99 53.96 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.22 39.46 1.58 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 162.33 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 0.735 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.586 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 31.0 t -116.08 149.98 38.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.644 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -166.24 -176.21 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 118' ' ' CYS . 40.3 m80 -81.48 143.5 32.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -80.87 44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 t -150.99 -46.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.95 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.85 -36.99 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 164' ' ' ILE . 0.8 OUTLIER -46.71 98.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 3.5 ptt180 -141.63 155.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 36.2 t -51.42 126.97 18.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.42 34.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -134.81 -46.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.04 -21.69 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.85 61.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -76.99 122.67 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -65.95 127.44 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.95 -172.51 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.82 -57.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.3 t 176.76 57.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.9 p -116.93 -76.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 167' ' ' LYS . 11.5 m -153.88 74.64 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -98.82 145.58 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.524 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -103.73 153.71 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 1.6 p-10 -129.45 97.67 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.32 98.31 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.7 OUTLIER 38.51 69.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.74 -49.51 4.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 37.0 mm-40 -52.47 149.69 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.574 HD13 ' CD1' ' A' ' 143' ' ' PHE . 3.4 pt -129.44 130.0 67.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.5 m-85 -139.02 -174.92 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.9 p -100.56 147.99 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 8.9 tttm -46.0 -42.83 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.44 -30.71 62.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -81.68 -48.04 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.9 t80 -57.18 -32.38 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.84 -61.03 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 9.7 mmtt -47.18 -60.98 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 5.2 m-80 -39.31 -39.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -124.62 61.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 116.57 21.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.2 t -78.62 106.32 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.68 5.24 61.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 30' ' ' PHE . 1.7 t -94.29 -66.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.4 p -81.88 -24.25 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 84.87 28.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -111.2 179.0 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.07 140.03 31.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.533 HG23 ' CD2' ' A' ' 31' ' ' HIS . 24.9 t -111.96 158.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -125.39 -63.04 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.52 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -40.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.63 47.0 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 116.66 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.78 118.6 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.21 144.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.15 134.42 21.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -38.91 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.68 -56.37 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 t -151.09 171.17 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -137.53 133.16 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.5 m-85 -131.76 173.12 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 69.5 m80 -64.26 162.22 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 7.79 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 51.7 m -112.49 29.16 8.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 3.9 t80 -133.93 79.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -141.73 134.38 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.0 t -47.72 114.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.449 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.13 11.76 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.665 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 34.6 t -108.12 -69.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -78.46 -25.53 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.43 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -98.78 128.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -59.96 143.69 51.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 37' ' ' CYS . 9.2 mt -125.16 145.85 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -107.59 -66.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.17 95.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 ' CG2' HG21 ' A' ' 48' ' ' THR . 4.2 m -158.01 -62.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 ' CG2' ' A' ' 47' ' ' THR . 71.1 p -127.31 4.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 50' ' ' ALA . 2.0 p -59.76 143.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 49' ' ' VAL . . . -127.86 166.07 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.79 140.28 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.8 t-160 -150.61 130.74 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.05 -99.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.73 51.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.3 OUTLIER -165.07 160.85 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -108.16 141.72 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.665 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 19.3 m-85 -145.14 126.34 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 31.8 p -55.65 150.83 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.04 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' LYS . 1.1 t -34.03 -67.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 24.5 m -40.8 -53.12 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.9 t80 -49.71 -55.81 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.95 -16.06 56.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -54.31 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -51.31 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 22.8 m-85 -64.75 -46.58 81.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.33 166.42 30.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.25 168.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.11 154.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -178.6 166.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 86.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.9 17.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -137.43 178.65 6.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.5 99.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.71 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -170.38 160.99 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.94 169.56 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 167.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 8.8 ttm105 176.66 165.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.9 ttt -178.56 156.81 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD2' ' OG ' ' A' ' 137' ' ' SER . 3.6 m-20 -151.11 -153.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -139.97 171.97 23.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.3 t -101.89 106.64 48.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.594 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.06 -0.73 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -68.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 17.5 p -79.56 -34.3 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 22.54 13.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.4 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -40.61 157.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 139' ' ' HIS . 45.0 t -133.34 121.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -168.55 143.07 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 62.23 -152.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.49 135.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 78.1 62.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.489 ' CG ' ' CG1' ' A' ' 125' ' ' VAL . 1.9 ttpp -136.32 134.02 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 143' ' ' PHE . 10.0 p -133.97 144.92 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.441 HD12 ' CE ' ' A' ' 130' ' ' LYS . 4.9 mp -124.54 117.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.54 147.54 17.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 46.46 58.05 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 38.39 40.95 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.63 159.44 43.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.544 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.9 m -115.23 143.55 45.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.684 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -157.51 179.52 9.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 108.004 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.573 ' CD2' HG23 ' A' ' 125' ' ' VAL . 36.3 m80 -81.4 131.95 35.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.41 61.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.66 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.14 -42.36 76.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.591 ' CD2' HG12 ' A' ' 131' ' ' VAL . 0.1 OUTLIER -32.1 102.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.4 146.48 38.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 38.1 t -47.99 126.54 10.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.81 34.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -135.32 -46.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.9 -20.87 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.4 71.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -78.98 132.15 36.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 141.81 57.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -163.64 177.41 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.71 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 76.84 -56.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -48.43 105.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.459 ' HB ' ' CB ' ' A' ' 167' ' ' LYS . 71.2 p 42.24 55.54 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -104.47 119.23 38.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.469 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -83.6 147.62 27.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.428 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 8.4 p-10 -129.25 102.77 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.5 OUTLIER -95.35 88.1 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.1 m-20 38.81 71.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.3 -50.05 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.1 mp0 -59.05 155.01 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.572 HG23 ' CZ2' ' A' ' 138' ' ' TRP . 1.1 pp -132.01 139.56 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -150.17 -176.85 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' CYS . 29.8 p -95.06 141.46 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.68 -39.61 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.79 64.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 166' ' ' CYS . 9.1 m -80.2 -48.79 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.469 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 3.0 t80 -55.2 -30.73 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.85 -64.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.7 OUTLIER -48.4 -68.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 22.1 t-20 -39.37 -30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -116.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 131.16 44.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.7 t -85.94 109.67 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.97 7.59 54.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG21 ' CD1' ' A' ' 30' ' ' PHE . 3.3 t -100.77 -66.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -80.08 -26.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 11.0 tt0 86.7 28.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.68 148.24 44.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.62 143.81 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.547 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 9.1 t -122.08 146.86 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -142.28 -47.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -45.85 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 -15.95 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.42 -28.03 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 23' ' ' VAL . 2.6 tm-20 -40.26 143.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.549 HG13 ' CD2' ' A' ' 35' ' ' PHE . 74.7 t -131.86 127.95 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -77.29 174.52 10.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -162.82 74.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 35.98 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.49 -45.85 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -85.42 179.35 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.948 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 41.0 t -169.05 126.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -134.83 167.67 20.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 45.1 m80 -59.01 161.59 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -53.9 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -29.19 66.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.13 -45.03 91.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 23' ' ' VAL . 1.4 t80 -67.73 75.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -137.41 133.21 34.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.9 t -46.39 111.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.61 7.6 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.654 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 51.9 t -101.57 -67.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 14.4 p -79.77 -24.41 41.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.63 24.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.33 127.56 53.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.47 ' CA ' HD13 ' A' ' 36' ' ' LEU . 14.2 p30 -50.0 144.9 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD22 ' CB ' ' A' ' 58' ' ' CYS . 28.6 mt -118.53 107.02 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.36 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 89.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -164.34 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t 41.85 50.63 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.7 p -84.88 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -125.71 164.81 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.94 167.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -160.03 102.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.59 -104.07 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.31 42.78 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 6.8 mm-40 -147.82 151.63 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -116.02 139.47 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -147.85 167.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' CB ' HD22 ' A' ' 44' ' ' LEU . 4.4 p -104.02 143.74 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 60' ' ' SER . 17.8 tptm -38.16 -61.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -29.71 -72.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' LYS . 83.2 m -44.79 -57.01 4.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -40.82 -65.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.67 -18.21 44.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -73.99 -55.65 5.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -68.4 -54.58 16.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -60.99 -39.4 89.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -174.14 148.39 9.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -177.09 137.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 p 178.08 136.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -178.61 157.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -177.9 85.58 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.88 11.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -153.43 122.7 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.1 t30 178.22 99.86 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.17 4.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.73 152.41 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.92 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t -177.38 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.86 132.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 155.85 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 137' ' ' SER . 0.6 OUTLIER -161.48 -153.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.25 21.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.0 t -101.53 107.3 50.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.605 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.0 -1.15 10.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -69.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.404 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 26.8 p -79.59 -34.64 40.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.48 -29.22 8.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.28 139.86 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.509 ' HB1' ' CE2' ' A' ' 126' ' ' TYR . . . -52.91 167.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 139' ' ' HIS . 48.5 t -134.49 117.47 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.509 ' CE2' ' HB1' ' A' ' 124' ' ' ALA . 21.7 m-85 -141.35 -169.4 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -51.82 104.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 166.83 -61.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 47.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 22.7 tttt -88.06 139.3 30.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 143' ' ' PHE . 8.7 p -133.77 151.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.94 116.33 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.39 147.98 18.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 46.47 52.26 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.84 42.69 6.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.23 170.01 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 3.1 t -116.4 135.43 53.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.67 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -148.9 176.33 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.586 ' CD2' HG21 ' A' ' 125' ' ' VAL . 23.1 m80 -79.21 129.31 34.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.2 OUTLIER -66.37 71.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER 166.62 -46.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 143' ' ' PHE . 76.6 m -59.93 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 108.278 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -29.14 114.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.64 146.77 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 42.5 t -71.05 127.2 31.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.31 33.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -134.49 -46.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.24 -20.4 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.12 63.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -62.48 142.73 57.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.6 m -65.11 155.77 33.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -114.21 -174.7 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.2 tm-20 86.21 53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 m -152.14 -53.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 156' ' ' THR . 37.4 p -105.55 -63.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.432 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 1.0 OUTLIER -176.55 129.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -95.9 119.87 35.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.516 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -87.49 150.86 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -131.83 106.17 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -100.21 94.09 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.2 m-20 38.55 73.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.82 -49.38 3.82 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.5 mm-40 -56.45 153.91 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 pt -132.79 131.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 51.6 m-85 -141.96 -178.17 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -94.59 147.09 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.432 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 10.3 tttt -46.84 -40.98 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.42 -30.14 64.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.2 m -80.76 -47.13 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 1.7 t80 -59.19 -32.79 70.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.26 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.7 mmtm -47.08 -60.9 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 172' ' ' LYS . 12.3 m-20 -39.17 -39.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.3 m-85 -123.8 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.937 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -59.47 133.07 55.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.2 t -90.67 111.74 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.25 11.36 37.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.4 t -106.23 -65.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -82.85 -28.09 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.2 tt0 88.95 27.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -123.95 151.23 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.52 150.37 49.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.624 ' CG2' ' CE1' ' A' ' 31' ' ' HIS . 16.3 t -126.54 162.59 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.3 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 37.7 p90 -93.11 96.43 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 19' ' ' PHE . . . 166.73 -58.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.14 -23.97 32.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.32 133.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 44.9 t -128.08 117.71 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.58 165.63 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -163.98 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 108.286 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER 36.88 81.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.77 -47.12 3.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.3 175.9 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 60.6 p -167.68 127.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.2 OUTLIER -135.86 173.39 11.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.624 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 37.4 m80 -51.72 -176.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.647 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -81.92 -58.66 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.44 -40.23 74.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 3.3 t80 -70.09 68.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.84 130.53 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 49.5 t -43.46 113.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.38 8.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -102.02 -67.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 16.0 p -79.76 -23.47 42.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 82.29 25.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.74 136.23 48.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -45.03 145.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 37' ' ' CYS . 2.4 mt -114.01 142.68 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -176.16 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 47' ' ' THR . 4.2 m -93.63 92.84 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 46' ' ' SER . 36.6 p -155.91 -65.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 10.0 t -141.5 40.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 50' ' ' ALA . 7.6 p -85.29 145.69 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.656 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -128.54 163.8 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.24 161.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -155.34 116.89 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.96 -100.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.82 48.72 2.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -153.19 158.2 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -115.39 138.28 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 21.7 m-85 -143.66 157.81 44.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 16.2 p -96.06 131.52 42.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.34 -57.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.2 m -38.49 -41.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.1 m -70.28 -56.45 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 108.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.656 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 2.2 m-85 -42.26 -48.35 4.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.55 -33.88 60.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -36.96 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -74.38 -57.54 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 20.6 m-85 -58.02 -18.8 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.972 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.53 137.0 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.68 131.38 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 t -176.72 124.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.19 157.31 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -145.58 85.98 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 120.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -76.26 124.6 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -110.27 99.85 41.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.43 39.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 177.58 150.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.39 170.58 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.17 167.31 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.28 157.91 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 ttm -164.37 120.07 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.65 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 3.9 p-10 -153.26 -163.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.65 ' N ' ' HD2' ' A' ' 116' ' ' ASP . . . -134.01 171.9 21.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.9 t -98.39 109.25 51.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.428 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 25.1 p -78.07 -32.21 50.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.95 -25.45 22.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 140.54 57.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.96 162.07 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.578 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -136.14 122.7 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.84 -62.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -161.3 -166.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 74.88 -58.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.3 tp10 -132.51 43.57 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.438 ' HD3' ' CD1' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -96.54 131.64 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.4 p -129.51 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.438 ' CD1' ' HD3' ' A' ' 130' ' ' LYS . 4.1 mp -125.79 115.8 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.05 154.54 25.74 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 47.65 48.47 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 0.803 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.87 21.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 168.37 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 22.9 m -124.04 146.87 48.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.67 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -165.56 173.99 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 108.002 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.578 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -74.51 129.19 37.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -58.01 -16.3 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -81.88 -52.24 7.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.1 m -69.27 -59.29 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.6 t80 -34.08 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.467 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 5.1 ptp180 -141.47 146.1 36.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.2 t -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.93 33.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' A' ' 173' ' ' ASN . 3.3 mttt -134.37 -46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.17 -19.82 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.08 19.38 67.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.86 119.74 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.467 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 12.6 p -59.74 134.07 56.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.91 -175.38 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.74 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 174.62 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.6 m -75.78 56.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 13.6 t -132.63 25.4 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -97.69 171.54 8.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 170' ' ' TYR . . . -138.32 111.79 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 2.6 p30 -90.89 100.04 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.91 97.58 8.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 160' ' ' LYS . 75.0 m-20 39.94 65.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.18 -48.88 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.2 mm-40 -55.37 159.86 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 10.1 pt -136.09 136.96 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 48.8 m-85 -147.94 -174.97 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.4 p -98.95 149.75 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 7.0 ptmt -46.69 -42.75 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -58.45 -29.51 63.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -81.78 -48.13 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.586 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -33.08 68.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.98 -60.08 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.77 -61.07 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 4.7 m-80 -39.02 -38.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 0.9 OUTLIER -124.69 61.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 114.48 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.1 t -69.81 107.06 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.91 7.03 60.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.8 t -96.93 -64.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.3 p -84.34 -24.49 29.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 86.21 28.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.0 143.54 50.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.547 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 10.0 t -116.02 149.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -161.83 104.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 17.9 m-85 52.68 -171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 19' ' ' PHE . . . 83.18 -62.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -137.63 -80.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 50.43 97.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 t -100.89 140.79 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 31.6 tt0 -124.68 156.51 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.1 p -164.32 129.7 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 51.28 -100.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.03 40.53 1.66 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -152.1 170.77 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.523 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 4.8 t -159.85 136.61 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 67.5 m80 -62.56 140.07 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.532 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -56.24 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.2 m -52.97 -43.07 66.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' HIS . 86.5 m -61.07 -45.14 95.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 13.4 t80 -67.04 81.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -128.14 133.02 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.1 t -46.56 111.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 3.64 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.682 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 55.0 t -98.15 -73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 11.1 p -71.9 -22.73 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 81.02 23.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -103.43 135.25 45.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.416 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -48.18 144.44 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 58' ' ' CYS . 8.8 mt -116.85 127.79 54.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -168.41 69.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.25 173.4 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -92.46 48.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' CB ' ' A' ' 59' ' ' LYS . 3.3 m -159.41 54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 44' ' ' LEU . 1.1 p -118.66 176.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 62' ' ' TYR . . . -159.58 165.27 33.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.37 149.27 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 23.8 t-80 -175.69 155.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.76 52.94 7.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 40.63 45.57 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -114.17 136.42 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.682 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.4 m-85 -142.69 143.42 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 23.6 p -74.59 139.2 43.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CB ' HG23 ' A' ' 48' ' ' THR . 2.1 ttmt -38.14 -64.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -34.77 -50.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 7.2 m -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.307 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 t80 -45.56 -53.13 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.02 -23.07 76.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -54.88 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -64.82 -48.33 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 5.1 m-85 -60.55 -37.53 81.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.982 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.49 123.38 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -156.78 163.85 38.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -143.93 159.93 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -147.69 168.23 22.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -151.38 94.84 3.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.97 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -113.77 150.03 34.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 14.3 t-20 -128.14 127.86 23.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.2 Cg_endo -75.0 165.28 31.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -111.87 152.41 28.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.93 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -146.86 162.53 38.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -148.27 156.62 42.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 161.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -162.59 -156.37 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.61 170.69 20.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.96 108.58 54.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.0 0.62 8.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -71.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.4 p -75.96 -27.99 57.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -21.86 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.35 141.97 56.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.03 162.79 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 139' ' ' HIS . 59.4 t -133.43 116.82 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -95.92 177.52 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.12 -66.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.43 134.55 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 74.23 60.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -143.92 141.24 30.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.2 p -133.2 147.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.37 116.87 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.53 142.88 10.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 50.78 45.79 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.32 37.46 47.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 157.18 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -115.34 136.83 52.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.672 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.57 173.29 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.574 ' CD2' HG21 ' A' ' 125' ' ' VAL . 40.6 m80 -70.08 128.46 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 7.9 tttp -67.31 71.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.9 t 167.28 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.9 p -60.62 -30.52 69.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -34.21 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 142' ' ' CYS . 8.4 mtt180 -104.05 157.78 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.8 t -76.6 125.97 30.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.98 33.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.84 -45.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.9 p -110.21 -20.92 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.85 18.13 68.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -80.14 176.76 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.2 p -95.33 147.9 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.4 OUTLIER -131.75 -175.98 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -153.48 36.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 157' ' ' LEU . 5.6 t 73.71 -58.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.048 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.2 m -49.7 -57.17 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.0 t -90.09 35.05 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -109.18 140.86 42.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.506 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -121.4 115.63 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -96.03 94.35 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 170' ' ' TYR . 0.0 OUTLIER -130.17 142.28 50.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 47.0 61.92 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.2 34.25 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 6.6 mt-10 -133.79 156.78 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.566 HG22 ' CZ2' ' A' ' 138' ' ' TRP . 1.3 pt -115.09 130.67 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 33.7 m-85 -135.48 -176.61 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -98.48 144.75 27.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -45.69 -41.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.13 -31.84 59.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 5.3 m -81.57 -46.85 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 160' ' ' LYS . 4.2 t80 -56.15 -31.12 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.55 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.9 mmmt -47.57 -67.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 1.6 t30 -38.56 -34.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 171' ' ' ALA . 76.2 m-85 -117.35 58.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.8 t -87.65 109.97 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.95 7.55 54.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.3 t -100.83 -66.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.6 p -80.95 -26.61 36.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 87.17 28.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 151.55 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 152.8 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 24.5 t -126.51 148.66 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.45 -175.76 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 13.8 p90 -79.51 48.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.65 -56.51 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.72 55.17 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.76 146.16 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 85.9 t -134.41 116.94 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 8.7 tt0 -95.67 145.96 24.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -142.11 137.16 30.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -40.58 105.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -54.89 0.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 m -153.39 169.62 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -121.1 129.2 53.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.96 164.86 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 17' ' ' VAL . 42.6 m80 -54.55 175.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.8 tttt -68.66 -60.11 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -61.75 -33.69 74.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -55.27 -37.48 67.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 4.7 t80 -68.64 69.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -133.47 133.25 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 48.5 t -45.05 114.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.42 9.44 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.68 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 44.1 t -105.33 -68.48 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -78.84 -20.55 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.5 mttt 80.02 21.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 131.48 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.0 m-80 -50.15 149.26 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 17.5 mt -125.75 146.68 49.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER 155.88 95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.18 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 48' ' ' THR . 4.4 t -165.53 86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER 165.19 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 -179.943 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG2' ' CE1' ' A' ' 35' ' ' PHE . 4.4 p -49.94 145.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 49' ' ' VAL . . . -133.39 165.56 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -118.9 142.4 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 6.5 t60 -153.06 132.93 13.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.93 -104.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -131.71 50.67 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -164.94 160.8 19.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -107.57 141.27 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.68 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.2 m-85 -144.44 130.73 19.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 23.0 p -66.7 141.29 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 108.267 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' CB ' HG21 ' A' ' 48' ' ' THR . 4.2 tttp -38.56 -63.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' LYS . 12.5 t -34.42 -52.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LYS . 12.9 m -58.63 -59.78 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -41.29 -59.04 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.33 -23.5 66.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -72.41 -37.65 68.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -61.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 37.9 m-85 -58.56 -33.67 70.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.23 119.93 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -150.19 157.19 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 p -141.98 170.43 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -164.65 169.17 17.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.633 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -163.5 95.02 1.07 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.06 11.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 t -125.26 149.2 48.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -82.42 114.4 51.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.0 17.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -149.84 150.03 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.71 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -140.25 170.2 16.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.96 163.76 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -170.57 133.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.958 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -156.25 -153.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.03 172.01 23.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.493 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.7 t -100.67 107.92 51.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.99 0.6 8.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -70.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.446 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 16.8 p -77.29 -30.86 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.3 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -109.97 134.58 51.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.44 155.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.563 HG22 ' CD2' ' A' ' 139' ' ' HIS . 69.7 t -134.05 120.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -161.61 -53.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.61 -167.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.34 144.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.58 57.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -125.99 96.96 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 143' ' ' PHE . 6.1 p -97.56 153.97 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.1 mp -135.28 115.55 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.66 153.79 25.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.48 49.85 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.4 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -147.02 169.01 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.61 137.74 51.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.659 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -155.15 172.1 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.9 m80 -77.24 119.34 20.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.545 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -43.94 -27.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 139' ' ' HIS . 32.8 t -70.33 -51.99 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 144' ' ' ARG . 11.0 m -69.05 -59.69 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.0 t80 -36.14 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -136.44 143.9 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 144' ' ' ARG . 39.3 t -41.93 127.65 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.257 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.22 33.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -134.44 -46.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.93 -17.25 13.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.84 15.53 81.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -82.42 118.55 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 84.6 p -55.06 137.05 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -175.03 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.451 ' HG3' ' CE ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -179.58 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.1 m -58.39 174.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.0 m -80.06 52.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 68.7 p -128.98 35.12 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 159' ' ' ASP . 0.2 OUTLIER -97.18 166.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.521 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -130.28 101.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.4 p-10 -90.29 99.04 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' GLY . 5.3 ttmt -82.38 78.49 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.8 t70 65.74 -69.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -123.62 -30.76 1.03 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.6 mt-10 -76.61 165.18 25.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.655 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 7.5 pt -136.8 139.27 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.7 m-85 -150.66 -173.9 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -98.89 144.7 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -40.09 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 172' ' ' LYS . . . -59.16 -28.49 64.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.127 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.0 m -83.09 -48.46 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -32.94 68.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.73 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 168' ' ' GLY . 37.5 mttt -47.24 -62.43 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 57.2 t-20 -39.56 -37.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.2 m-85 -120.51 58.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.57 123.89 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.4 t -81.39 109.84 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.48 7.33 54.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.9 t -100.73 -67.12 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.2 p -79.86 -26.1 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 4.2 tp60 86.61 27.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.98 149.38 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.56 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 31' ' ' HIS . 12.8 t -123.2 146.84 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -99.26 -67.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.58 -177.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.37 -66.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -38.85 65.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -38.74 136.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.56 HG13 ' CD2' ' A' ' 35' ' ' PHE . 68.1 t -133.86 119.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -78.63 130.85 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.522 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 2.0 t -135.55 133.08 38.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -40.27 103.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -55.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -156.74 178.08 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 61.0 m -117.92 140.34 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -137.6 159.53 41.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HG23 ' A' ' 17' ' ' VAL . 61.4 m80 -51.81 171.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -70.78 -59.42 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -58.43 -23.44 57.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -69.45 -55.81 9.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CD2' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -61.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -146.18 133.53 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 48.7 t -47.27 110.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.41 2.78 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.723 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 40.2 t -97.37 -74.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 10.1 p -70.83 -21.57 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER 79.22 22.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -101.88 133.96 45.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.407 ' N ' HD13 ' A' ' 36' ' ' LEU . 16.8 p-10 -40.91 148.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . 6.1 mt -127.33 174.45 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.99 173.79 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -75.12 75.07 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.2 t -174.51 123.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 12.3 t 46.89 35.51 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG23 ' CD2' ' A' ' 44' ' ' LEU . 3.7 p -111.7 163.19 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.36 165.16 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -119.41 174.37 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -165.33 98.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.57 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.81 -104.12 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.0 40.62 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -148.65 159.79 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -126.1 134.69 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.723 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.6 m-85 -137.48 150.96 47.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.6 p -81.97 141.34 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 48' ' ' THR . 9.5 tttt -38.04 -66.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 59' ' ' LYS . 6.3 p -34.28 -48.57 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.6 m -64.2 -55.98 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 108.316 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.628 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.4 t80 -42.81 -50.24 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.88 -28.29 70.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -65.36 -53.13 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -64.68 -47.78 77.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.0 m-85 -59.13 -31.52 69.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.71 151.11 6.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.41 167.23 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t -157.48 159.04 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -139.83 172.86 12.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.44 95.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.0 m -139.75 133.12 30.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -143.43 145.9 33.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.23 4.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -173.5 163.05 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.35 132.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -159.34 170.34 22.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 139.41 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.61 149.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.975 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.58 -154.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -129.46 171.89 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.501 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.8 t -100.21 108.62 53.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.522 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -71.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.8 p -77.47 -31.91 54.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.252 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.32 -23.83 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.35 143.26 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.98 162.28 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 139' ' ' HIS . 74.6 t -134.56 123.04 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -175.84 122.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . 67.59 110.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.45 136.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.35 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.29 123.43 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 143' ' ' PHE . 9.3 p -130.0 149.21 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 47.3 mm -125.78 115.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.55 145.64 14.51 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 48.09 55.18 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.17 37.6 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -143.19 170.58 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 35.3 p -125.99 148.27 49.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.67 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -161.38 171.75 17.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 125' ' ' VAL . 40.0 m80 -70.23 119.31 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.1 OUTLIER -64.76 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.6 OUTLIER 155.9 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -89.96 -25.09 21.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.704 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -33.88 97.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.4 ttt180 -102.5 146.26 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 35.7 t -75.07 127.83 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.17 35.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.2 OUTLIER -135.9 -46.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.2 p -109.79 -18.46 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.64 81.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' SER . 6.9 tptt -88.09 144.31 26.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 54.5 p -72.93 137.63 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.13 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 174.93 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -54.04 164.26 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 19.8 m -78.32 57.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -147.33 50.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -102.22 123.28 45.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.508 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -85.75 150.18 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.0 OUTLIER -136.05 101.92 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 82.63 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.87 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -117.37 -26.45 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.0 mp0 -77.59 158.05 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.526 HG12 ' CH2' ' A' ' 138' ' ' TRP . 2.6 pt -130.41 138.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.0 m-85 -147.2 -175.29 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.44 145.64 25.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -40.27 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.96 -30.02 65.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.9 m -80.63 -47.3 14.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -59.25 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.35 -63.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.48 -61.78 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 172' ' ' LYS . 25.4 m-20 -39.03 -38.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -123.21 58.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -128.4 116.85 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.2 t -65.49 106.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.55 61.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 1.7 t -94.44 -67.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.63 -22.89 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 84.23 27.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.75 43.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 134.52 46.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.547 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 2.7 t -110.27 145.65 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -165.45 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -108.58 -27.82 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -63.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 1.6 tt0 64.2 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG12 ' CD2' ' A' ' 35' ' ' PHE . 38.2 t -125.41 117.77 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.45 152.67 23.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 49' ' ' VAL . 1.1 m -146.14 162.62 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' CYS . 7.0 mm-40 -36.86 -48.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.27 47.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.554 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -156.21 167.12 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.472 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 3.0 m -177.43 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -142.87 173.83 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 45.3 m80 -57.52 166.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -68.33 -48.21 65.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -40.46 95.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.7 -46.44 89.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.308 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.582 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.55 95.33 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.88 136.22 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' CA ' HD11 ' A' ' 44' ' ' LEU . 48.1 t -51.95 114.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.364 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.9 tpt -78.31 10.04 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.724 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 35.1 t -106.35 -70.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -77.02 -21.4 54.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER 80.79 21.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 128.87 46.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -53.05 151.99 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 37' ' ' CYS . 12.4 mt -120.96 155.15 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 44.4 m-20 -174.23 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -49.16 175.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -97.06 72.29 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 7.0 t -175.68 43.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 44' ' ' LEU . 5.8 p -107.05 169.84 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -148.02 163.8 35.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.78 159.18 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 10.8 t60 -145.42 145.08 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.18 71.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.565 1.166 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 165.55 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -176.1 -178.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -104.32 142.12 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.724 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 15.4 m-85 -135.99 157.37 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.4 p -87.89 153.5 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -38.5 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 59' ' ' LYS . 63.0 m -31.8 -69.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 35.9 m -41.65 -56.94 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 5.1 t80 -45.8 -52.77 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -17.84 65.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -77.56 -54.3 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -46.38 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 62' ' ' TYR . 8.5 m-85 -67.92 -49.21 63.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.941 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.18 178.7 41.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -178.66 146.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.19 166.88 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.45 164.47 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.599 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.92 148.86 7.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.44 8.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.9 t -171.72 155.75 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 177.4 99.85 0.12 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -158.33 164.88 35.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.65 175.02 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.3 p -177.82 169.11 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.37 168.7 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -177.46 165.73 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 125' ' ' VAL . 4.3 m-20 -179.42 167.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -92.07 169.9 32.58 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.6 t -99.85 108.58 52.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.1 Cg_endo -75.05 0.7 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -70.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 19.5 p -78.02 -33.99 50.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 108.329 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.05 -22.0 28.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.01 143.2 55.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.49 156.03 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.575 HG23 ' CD2' ' A' ' 139' ' ' HIS . 58.5 t -129.92 116.15 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -166.74 -47.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.72 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.92 163.52 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 68.3 53.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.434 ' CB ' ' CG1' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -108.89 134.37 51.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.54 HG11 ' CE2' ' A' ' 143' ' ' PHE . 9.7 p -127.13 150.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.3 mm -127.42 116.18 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.55 9.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 48.01 62.62 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.13 33.9 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 167.47 21.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 44.5 t -128.45 150.24 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.642 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -169.67 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CD2' HG23 ' A' ' 125' ' ' VAL . 44.7 m80 -70.27 125.75 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 141' ' ' SER . 2.2 ttpm? -65.7 75.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER 159.33 -44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -68.79 -23.12 64.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.48 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.27 135.78 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 38.6 t -58.15 126.67 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.15 34.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.497 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.35 -45.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.21 -17.56 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 74.96 14.74 81.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 137.67 32.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 134.29 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -98.87 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -174.31 128.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 69.79 175.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -60.58 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 14.3 t -158.7 25.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.454 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -103.02 158.87 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 170' ' ' TYR . . . -126.47 115.64 19.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -95.64 87.44 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.422 ' HD2' ' CZ ' ' A' ' 174' ' ' PHE . 0.0 OUTLIER -122.08 140.52 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 47.41 62.71 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.01 35.35 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 14.0 mt-10 -136.23 152.73 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.581 HD12 ' CD1' ' A' ' 143' ' ' PHE . 1.7 pt -110.94 136.84 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 26.3 m-85 -141.52 -178.89 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 31.7 p -93.9 146.68 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -47.01 -40.6 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.42 -29.92 67.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 3.3 m -80.52 -47.42 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.564 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -59.3 -33.52 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.6 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.9 mttp -47.41 -60.94 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 95.8 m-20 -39.38 -38.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.0 OUTLIER -123.49 59.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -68.99 116.84 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -78.95 106.52 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 4.73 61.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 1.4 t -94.02 -67.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.7 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 7.1 tt0 85.89 28.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -120.59 155.83 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.2 137.15 38.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 31' ' ' HIS . 59.3 t -104.11 141.9 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -122.62 141.9 51.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -37.64 103.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.45 -53.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -148.85 52.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.0 127.63 35.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HG2' ' A' ' 32' ' ' LYS . 39.4 t -110.79 117.94 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.6 156.26 18.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.47 74.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 64.88 -81.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -27.61 3.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 8.1 p -89.0 172.79 8.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.948 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -166.35 130.85 2.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 56' ' ' ILE . 1.9 m-85 -139.13 169.38 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' A' ' 17' ' ' VAL . 73.9 m80 -62.55 164.03 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 18.8 mttt -62.38 -48.85 77.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.9 p -89.73 40.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.2 m -126.42 -53.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -38.26 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -150.05 133.1 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' CA ' HD13 ' A' ' 44' ' ' LEU . 42.6 t -45.08 114.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 12.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.35 -71.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.9 p -75.53 -23.38 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 81.82 22.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 132.03 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.416 ' N ' HD13 ' A' ' 36' ' ' LEU . 14.2 p-10 -55.28 147.52 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 HD13 ' CA ' ' A' ' 37' ' ' CYS . 88.8 mt -128.22 133.45 48.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.67 96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 47' ' ' THR . 27.1 t 178.96 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 47' ' ' THR . 1.2 m -169.59 64.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -179.03 44.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.591 HG22 ' CE1' ' A' ' 35' ' ' PHE . 1.9 p -115.35 159.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.59 165.98 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.57 164.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -159.83 131.53 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.63 -113.25 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.17 49.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.43 170.28 20.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG22 ' CE2' ' A' ' 30' ' ' PHE . 1.6 pt -117.81 144.38 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.655 ' CE1' ' CB ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -141.99 151.2 42.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' CB ' HD21 ' A' ' 44' ' ' LEU . 21.5 p -81.99 145.78 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.67 -65.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.0 -49.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' LYS . 18.4 m -63.64 -58.13 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -40.23 -53.06 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.1 72.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -64.53 -48.95 73.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -64.97 -52.04 58.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 10.8 m-85 -58.47 -27.65 64.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.07 125.02 2.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.28 123.73 26.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -105.86 149.34 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.99 -62.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -179.19 148.81 0.55 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 t -120.47 -49.05 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 178.53 99.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 92.86 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.806 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.13 167.46 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.33 105.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.0 p -176.96 105.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.68 144.5 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.4 ptp -176.84 143.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.09 -153.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -131.52 173.1 20.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.524 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.1 t -100.05 107.85 49.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.587 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -91.39 -69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -80.15 -36.14 35.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.98 -27.29 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 141.78 56.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -54.39 165.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 139' ' ' HIS . 53.2 t -135.9 117.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.4 t80 178.43 -50.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.26 78.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 58.92 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 67.03 51.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -115.24 133.19 56.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -128.52 146.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 132' ' ' ILE . 5.3 mp -124.07 116.4 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.59 147.7 18.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 164' ' ' ILE . . . 47.11 62.89 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 134' ' ' ALA . . . 36.84 36.54 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.44 169.45 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.559 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 8.4 m -126.64 145.78 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.68 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.08 -178.7 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.576 ' CD2' HG21 ' A' ' 125' ' ' VAL . 32.2 m80 -82.01 133.81 35.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 154' ' ' SER . 0.0 OUTLIER -68.73 63.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -179.17 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.3 m -61.22 -42.32 98.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.703 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -30.34 100.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 159.49 22.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.09 127.97 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.91 -46.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.9 p -110.93 -16.66 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.45 -7.34 61.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -54.47 131.4 42.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.2 p -74.46 125.1 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.59 -174.1 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.71 64.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 140' ' ' LYS . 4.5 t 60.75 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 156' ' ' THR . 41.0 m 63.01 165.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 155' ' ' THR . 13.6 t 47.28 24.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.703 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -108.55 125.59 51.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -90.73 143.71 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 99.18 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.5 OUTLIER -87.86 94.04 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 60.64 -82.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -117.75 -31.05 1.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.2 mp0 -72.54 155.72 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 134' ' ' ALA . 2.9 pt -128.78 138.54 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 31.8 m-85 -145.16 -175.15 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.3 p -96.77 143.87 27.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -47.31 -39.03 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.32 -29.92 66.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -81.19 -47.72 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.6 -33.61 70.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.63 -64.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 22.4 mtmt -47.25 -63.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.43 ' OD1' ' CE1' ' A' ' 174' ' ' PHE . 37.5 t-20 -38.69 -37.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.4 m-85 -120.25 59.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.998 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' OE2' ' A' ' 22' ' ' GLU . 4.9 tttm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 117.34 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t -78.63 107.87 11.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.14 61.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -95.49 -68.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.1 p -78.2 -24.69 47.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 9.5 tm0? 84.98 27.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -118.4 145.88 44.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 137.07 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 22' ' ' GLU . 7.4 t -94.33 143.66 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' TYR . 61.7 t80 -92.39 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' TYR . 1.4 t80 37.63 89.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 175.8 -63.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG2' ' CB ' ' A' ' 32' ' ' LYS . 1.5 tt0 -82.75 -28.03 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -38.87 133.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.547 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 44.6 t -127.89 117.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -104.42 153.58 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -166.31 101.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' CYS . 8.1 tt0 38.29 74.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.97 -46.06 3.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 25.2 p -52.01 148.17 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.43 84.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 28' ' ' SER . 0.5 OUTLIER -128.66 161.58 29.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 60.1 m80 -58.3 156.45 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 tptt -50.57 -57.0 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.8 t -60.19 -42.09 94.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -56.8 -38.65 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 5.7 t80 -71.8 74.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -138.0 132.39 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.1 t -41.82 115.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.444 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 3.5 mmt -78.1 14.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -112.55 -71.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.3 p -75.54 -23.56 56.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.0 tttp 80.47 23.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.44 133.42 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' N ' HD13 ' A' ' 36' ' ' LEU . 36.0 t30 -49.84 144.76 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 49' ' ' VAL . 13.0 mt -122.52 149.0 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER 162.85 147.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 109.356 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.73 67.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m 50.39 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.3 m 84.27 -44.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 44' ' ' LEU . 2.2 p -64.98 146.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -126.04 166.03 17.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -116.17 143.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -152.35 130.32 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.35 -111.59 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.3 51.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 0.809 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -167.17 166.0 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.621 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -111.92 148.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.621 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 3.0 m-85 -146.84 126.55 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' LYS . 26.3 p -59.19 148.35 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 60' ' ' SER . 3.8 ttpt -38.0 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -31.82 -69.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.2 m -42.1 -58.19 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.92 -50.84 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.8 -23.21 72.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.4 tttp -74.89 -48.08 26.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.786 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -62.34 -44.97 95.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 10.7 m-85 -68.22 -47.44 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.61 165.8 28.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 171.02 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 170.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 174.33 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 148.87 6.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.35 6.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -140.11 163.52 32.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -138.41 132.67 16.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -179.89 148.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.38 175.89 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.8 p -178.0 170.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.37 153.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.38 167.9 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -157.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.35 171.32 20.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 45.1 t -97.41 109.48 50.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -6.58 18.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -66.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.433 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.1 p -80.55 -41.72 23.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.275 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.9 -25.16 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -56.15 -173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.5 160.07 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 139' ' ' HIS . 93.1 t -134.19 123.37 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.82 -67.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -152.9 178.85 9.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 80.03 -54.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.5 43.37 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.456 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 8.7 tttm -101.83 123.51 45.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 143' ' ' PHE . 5.8 p -123.58 149.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.95 115.41 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.83 150.78 22.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 50.61 47.41 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.87 37.53 28.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 173.31 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.606 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 5.9 p -128.43 149.59 50.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.675 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -167.15 175.25 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.9 m80 -73.96 129.0 36.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -58.34 -15.8 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 -51.94 5.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 7.2 m -68.4 -59.19 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.651 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 4.6 t80 -34.36 100.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.481 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -143.46 158.35 43.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 41.8 t -50.73 125.8 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.28 32.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 173' ' ' ASN . 7.5 tttt -133.45 -46.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -111.11 -27.5 8.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 108.289 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.19 17.36 50.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -81.37 115.88 20.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 1.1 t -48.09 149.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.33 174.73 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -159.37 -43.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 153' ' ' GLU . 0.3 OUTLIER -174.45 -177.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 156' ' ' THR . 8.8 t 40.33 42.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 167.22 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.435 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -66.79 155.43 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.543 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -134.83 104.99 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.53 102.35 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 79.11 9.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.71 -76.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -125.82 -2.12 7.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.4 mm-40 -101.78 168.05 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.651 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 8.0 pt -137.03 137.05 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 50.6 m-85 -150.07 -174.16 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.1 p -100.8 151.48 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -41.62 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.02 -30.21 66.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -82.48 -47.91 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.4 t80 -57.8 -32.68 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.38 -60.69 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 173' ' ' ASN . 12.3 mtmt -47.61 -61.19 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.7 m-20 -39.57 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.8 m-85 -122.79 61.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.555 ' NZ ' ' H ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.555 ' H ' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -129.41 117.49 20.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.8 t -81.97 106.22 13.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.45 5.19 61.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -94.7 -67.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.4 p -81.46 -23.44 37.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 84.34 28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.7 151.33 37.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.11 140.92 49.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 31' ' ' HIS . 39.6 t -104.67 157.36 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -91.31 -79.52 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.14 167.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.17 -68.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -58.57 -28.46 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' HG2' ' CG1' ' A' ' 17' ' ' VAL . 89.1 mt-10 -38.85 136.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 35' ' ' PHE . 72.1 t -122.47 117.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.18 162.34 25.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 111.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.43 54.96 3.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -175.35 161.25 2.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 77.7 p -167.16 123.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -135.5 175.72 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 56.2 m80 -61.23 177.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -80.12 -52.82 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -66.63 -36.18 81.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -56.53 -40.16 74.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 56' ' ' ILE . 6.4 t80 -62.03 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -139.04 132.52 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.3 t -46.55 115.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.73 12.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.696 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 22.0 t -110.11 -70.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -77.12 -25.57 52.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER 84.84 24.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.96 129.66 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' N ' HD11 ' A' ' 36' ' ' LEU . 16.8 p30 -62.24 145.96 52.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -129.36 145.22 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.53 81.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.1 p 57.85 112.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.64 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -175.0 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG22 ' CE2' ' A' ' 35' ' ' PHE . 3.4 p -78.29 159.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -132.68 165.13 25.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 5.1 t -119.48 142.75 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.439 ' NE2' ' OH ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -149.92 119.94 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 -94.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -141.57 43.09 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 0.814 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 11.3 mt-10 -152.09 159.06 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -108.78 140.02 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 22.2 m-85 -145.2 127.0 15.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -56.91 150.59 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' SER . 7.8 tmtt? -37.15 -68.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' LYS . 24.5 m -33.02 -69.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' LYS . 60.3 m -43.25 -55.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.296 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.49 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.04 -55.53 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.6 -17.64 67.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -75.65 -52.72 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -46.37 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 52' ' ' HIS . 18.2 m-85 -66.67 -48.72 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.04 156.3 13.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.65 158.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.797 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 t 177.86 155.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 157.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -165.72 120.22 0.93 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.35 4.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 102' ' ' ASN . 20.6 m -132.47 149.42 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG23 ' A' ' 101' ' ' THR . 15.2 p-10 -101.34 132.72 21.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.39 4.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -127.3 162.71 25.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.38 170.89 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 169.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.06 145.48 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.7 ptm -119.55 162.6 18.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.02 -153.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.89 172.3 23.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.5 t -100.29 108.11 50.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -93.65 -70.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.439 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.1 p -77.89 -33.18 52.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.01 21.62 20.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.86 133.18 53.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.769 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -43.32 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 139' ' ' HIS . 79.7 t -134.06 119.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 127' ' ' ALA . 41.0 p90 -178.05 171.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.401 ' HB3' ' CD1' ' A' ' 126' ' ' TYR . . . 71.93 -78.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.94 48.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 66.83 51.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.453 ' CB ' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -125.12 90.24 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -81.96 149.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.3 116.68 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.85 153.45 25.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 46.51 52.71 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.89 42.14 6.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -149.51 165.69 31.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.6 m -123.83 139.69 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.649 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -157.99 174.23 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.569 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -75.87 127.6 33.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -56.42 -18.06 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -52.2 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.98 -59.74 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 131' ' ' VAL . 2.2 t80 -32.28 103.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.69 143.67 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 t -41.91 126.66 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.89 33.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.423 ' HD2' ' CD1' ' A' ' 165' ' ' TYR . 6.7 mttt -133.76 -46.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.6 -25.56 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.37 20.97 46.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.04 115.91 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.8 p -60.43 141.98 55.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -174.51 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.463 ' HB3' ' CG ' ' A' ' 140' ' ' LYS . 4.2 pt-20 -164.48 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 155' ' ' THR . 60.0 p -134.77 137.65 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 154' ' ' SER . 77.0 p 44.36 -168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 157' ' ' LEU . 25.8 m 70.54 -55.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -46.93 172.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.505 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -146.87 120.56 9.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.475 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 1.5 p-10 -92.86 101.68 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 99.61 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.9 t0 43.1 57.15 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.73 -46.69 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 19.0 mm-40 -53.13 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.5 pt -133.75 131.7 56.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.9 m-85 -143.76 -171.84 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.5 p -102.71 142.34 34.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 -42.81 5.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.93 -33.02 59.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.85 -47.42 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.06 -31.5 65.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.07 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 27.9 mttt -45.78 -59.03 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 11.8 m120 -38.45 -43.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 2.1 m-85 -132.06 62.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -123.22 114.42 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.6 t -80.38 105.91 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.99 5.66 61.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.578 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.79 -65.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.4 p -83.94 -22.86 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 83.67 29.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.94 158.0 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 135.86 37.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 31' ' ' HIS . 60.7 t -98.42 155.42 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -141.06 153.83 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -53.56 98.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 180.0 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -146.92 51.29 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 4.4 tt0 -92.31 134.18 35.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -120.08 117.82 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.89 156.99 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -140.52 141.7 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.27 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' CYS . 2.6 mm-40 -36.84 -52.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.5 48.29 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 176.53 -177.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 94.2 p -172.7 129.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 3.8 m-85 -145.36 175.59 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 77.8 m80 -69.01 171.49 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -69.73 -42.68 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -90.65 37.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -127.85 -47.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.255 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -52.1 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -152.16 129.69 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 48.3 t -48.95 111.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.2 9.3 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.708 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 35.3 t -105.93 -73.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -73.4 -25.07 60.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 84.3 24.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.25 128.91 44.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.402 ' N ' HD13 ' A' ' 36' ' ' LEU . 7.1 m120 -60.89 144.31 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 56' ' ' ILE . 17.3 mt -125.32 139.81 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.6 83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.414 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER 169.35 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 46' ' ' SER . 35.0 p -153.96 -171.02 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 1.7 p 54.97 27.32 9.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.578 HG23 ' CE1' ' A' ' 35' ' ' PHE . 5.4 p -106.38 152.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . . . -136.37 165.74 25.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.401 HG12 ' CB ' ' A' ' 28' ' ' SER . 4.1 t -120.11 174.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t-80 -169.5 95.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.42 -125.0 24.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -91.8 35.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -148.53 154.97 40.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -118.51 144.33 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.708 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 22.7 m-85 -143.4 148.85 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' LYS . 14.5 p -84.58 156.05 21.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -39.18 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 59' ' ' LYS . 19.0 t -32.17 -69.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 40.1 m -41.88 -58.43 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.67 -55.03 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.21 -20.08 62.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -78.86 -47.2 17.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -52.77 46.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -67.64 -48.42 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.47 126.49 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -177.32 131.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.0 p -175.97 121.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -177.29 150.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -156.33 137.64 9.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.54 36.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.9 t -172.54 122.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.76 141.18 1.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -166.03 149.09 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.14 153.2 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 170.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -155.52 145.47 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.06 168.84 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.511 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 1.6 m-20 -150.75 -154.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.66 172.07 23.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -100.49 108.01 51.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.482 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.06 -0.08 9.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.447 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.5 p -77.94 -33.48 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.6 21.99 17.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.54 135.37 50.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.24 155.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 139' ' ' HIS . 70.9 t -134.63 127.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -171.58 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -75.82 -166.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.46 152.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.44 55.25 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -124.73 124.43 42.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -129.58 146.38 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.42 116.53 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.54 145.28 15.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 48.73 57.73 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.71 31.95 2.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 170.67 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.511 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -134.58 140.03 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.675 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.42 173.69 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 32.3 m80 -78.46 116.73 19.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.424 ' N ' HG12 ' A' ' 131' ' ' VAL . 4.5 tttt -43.6 -26.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 139' ' ' HIS . 23.7 p -68.59 -55.6 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -67.74 -56.21 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -32.1 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptm180 -135.4 152.29 51.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.5 t -46.27 126.94 8.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.68 33.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -46.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.5 p -110.22 -22.28 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.08 19.01 63.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 116.36 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 52.1 p -44.71 139.34 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.86 -173.7 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.7 p 46.91 -168.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -75.25 63.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.0 m -133.0 8.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -175.1 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.526 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -142.15 108.17 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -96.99 92.97 6.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -128.66 140.85 51.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 163' ' ' GLU . 17.4 m-20 47.84 64.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.48 28.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -127.17 152.88 46.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 8.3 pt -117.71 138.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 50.5 m-85 -143.98 -175.91 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 31.5 p -98.61 144.8 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.17 -39.79 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.17 67.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -81.99 -48.16 11.79 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.584 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.69 -33.35 70.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.97 -62.86 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 173' ' ' ASN . 46.4 mttm -47.47 -61.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 172' ' ' LYS . 4.2 m-20 -39.59 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -121.97 59.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -129.92 115.0 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -70.27 106.76 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.339 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.71 5.39 61.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.69 -66.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.6 p -82.63 -23.38 34.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.6 tt0 85.02 28.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -117.09 147.49 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.34 148.71 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.553 HG21 ' CD2' ' A' ' 31' ' ' HIS . 17.6 t -125.6 163.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.76 177.69 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -96.01 64.57 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 177.96 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -40.53 93.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.9 129.25 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 35' ' ' PHE . 54.8 t -100.69 117.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 119.84 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -128.55 147.39 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -47.82 -60.79 2.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -52.34 -27.48 24.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 161.16 -173.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -110.33 133.78 52.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.7 m-85 -137.35 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 17' ' ' VAL . 53.1 m80 -62.68 175.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' SER . 1.6 pttt -74.2 -47.67 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 4.3 t -72.36 -35.02 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 m -57.07 -40.53 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 56' ' ' ILE . 5.6 t80 -67.26 78.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -138.67 136.84 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' CA ' HD12 ' A' ' 44' ' ' LEU . 47.4 t -50.15 114.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.55 10.83 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.692 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 39.9 t -106.5 -68.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.8 p -78.55 -25.42 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tttp 85.85 23.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 128.09 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.0 m120 -57.58 144.59 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 37' ' ' CYS . 11.5 mt -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.26 -64.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.79 79.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -158.88 86.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 20.9 m 53.19 62.65 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.42 150.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.69 165.56 21.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.405 ' CG2' ' SG ' ' A' ' 25' ' ' CYS . 4.0 t -120.64 165.61 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 38.2 t60 -166.11 108.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.36 -105.77 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -119.27 45.06 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.34 158.12 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -116.27 144.26 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 22.5 m-85 -143.93 132.13 21.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.3 p -68.95 136.7 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 0.6 OUTLIER -39.85 -60.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.22 -48.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 m -62.85 -54.89 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -45.05 -51.53 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.38 -24.61 76.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -71.84 -36.79 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -81.86 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 38.5 m-85 -57.65 -30.3 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.64 160.88 25.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -178.43 147.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 170.02 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -147.66 173.06 13.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -151.46 94.88 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.22 7.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 111.06 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.4 m -149.73 154.37 38.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -155.5 132.69 6.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.2 7.58 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -153.94 165.67 35.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -156.95 174.91 14.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -172.0 168.88 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -165.91 166.66 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.43 167.72 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.951 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.2 OUTLIER -176.82 177.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -100.22 171.63 23.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.7 t -98.28 108.83 49.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.97 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -91.92 -69.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.462 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.0 p -79.25 -37.19 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.6 9.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -111.67 138.42 48.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.428 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -50.72 153.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.515 HG21 ' CD2' ' A' ' 139' ' ' HIS . 92.3 t -134.61 116.18 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -127.26 -161.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.48 136.58 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 66.67 133.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 60.96 43.02 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.6 OUTLIER -132.82 98.3 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.613 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.0 p -89.2 152.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.0 mt -131.94 115.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.51 153.83 25.38 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 47.9 45.58 18.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 50.25 42.41 41.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -148.37 166.8 27.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 137.62 54.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.663 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.55 173.65 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 44.6 m80 -74.7 130.42 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -60.44 -14.52 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -50.71 8.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.78 -59.36 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 3.2 t80 -32.56 105.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 11.3 ptt-85 -150.58 145.53 25.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.2 t -42.6 127.16 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.55 34.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 0.1 OUTLIER -135.05 -46.53 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.9 p -110.14 -21.63 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.43 19.36 62.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 117.54 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 11.8 p -57.46 141.1 48.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -174.98 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 154' ' ' SER . 2.6 tm-20 -172.81 56.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 153' ' ' GLU . 0.4 OUTLIER 38.97 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 m -157.26 -60.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.9 t -139.6 48.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -101.35 175.14 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.519 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -135.21 152.57 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 6.7 p30 -127.27 105.08 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -101.45 95.46 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 39.41 64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.82 -50.46 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.5 mp0 -52.98 156.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 3.6 pt -133.94 132.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 55.8 m-85 -143.1 -174.45 4.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.9 p -97.76 151.99 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -46.54 -44.0 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.09 -29.37 62.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.1 m -80.81 -47.38 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.519 ' CG ' ' HB2' ' A' ' 158' ' ' ALA . 1.3 t80 -59.06 -33.29 70.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.25 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.0 mtpt -47.8 -60.71 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.413 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 63.3 t-20 -39.99 -38.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -122.81 58.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.64 113.36 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.2 t -71.84 107.47 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.57 5.73 60.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 13' ' ' CYS . 2.2 t -96.62 -66.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.92 -22.88 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER 83.77 27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.4 144.94 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 140.96 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG23 ' CD2' ' A' ' 31' ' ' HIS . 19.0 t -109.41 140.68 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.09 145.78 45.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -37.26 102.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.84 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.9 pt-20 -134.69 -57.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 27.37 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.2 t -85.44 118.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -71.98 164.6 25.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -161.61 76.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' CYS . 5.0 tt0 37.32 78.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.92 -47.17 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.39 175.34 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -164.85 110.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.2 m-85 -116.9 162.69 17.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CD2' HG23 ' A' ' 17' ' ' VAL . 63.5 m80 -60.16 158.62 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.556 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -52.16 -39.26 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.66 31.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.4 m -132.21 23.85 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CE2' ' SG ' ' A' ' 25' ' ' CYS . 4.7 t80 -122.35 71.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 43' ' ' ASN . 1.4 tt -138.3 135.58 35.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' CA ' HD12 ' A' ' 44' ' ' LEU . 49.1 t -47.91 113.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 9.36 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.659 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 43.3 t -104.36 -68.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.2 p -78.76 -25.11 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER 85.8 23.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.28 127.18 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 8.6 p30 -54.07 148.05 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 56' ' ' ILE . 23.4 mt -122.99 141.62 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -139.9 -58.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.27 72.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -153.31 76.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.8 t 40.35 51.68 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 50' ' ' ALA . 3.3 p -78.12 144.99 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 62' ' ' TYR . . . -126.14 166.09 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.41 158.09 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 14.2 t-160 -162.81 114.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.18 -109.24 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 50.31 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.22 160.95 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -115.39 145.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.659 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 23.1 m-85 -145.29 131.29 19.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . 22.1 p -69.25 140.93 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.37 -67.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -31.37 -56.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.81 -58.95 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -44.37 -59.82 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -21.56 55.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -40.21 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -73.75 -57.11 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -65.47 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.967 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.21 153.94 11.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -174.09 144.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.1 t -169.79 158.53 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.93 172.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.04 148.81 30.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -142.41 157.95 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.97 130.74 20.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -157.94 125.39 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.86 169.88 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 167.26 30.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.72 125.86 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 tpp -159.84 121.39 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.8 -153.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.44 172.15 23.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -99.83 108.24 50.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.569 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -93.96 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.4 p -77.68 -32.68 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.34 21.67 21.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.78 134.1 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.57 155.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 139' ' ' HIS . 68.9 t -134.34 124.26 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -170.58 136.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 67.2 -154.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.39 138.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.06 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -145.49 134.5 22.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.8 p -132.28 147.92 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.85 116.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.62 157.57 27.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 45.88 48.82 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 45.27 45.1 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.93 158.8 38.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.3 OUTLIER -115.02 140.88 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.686 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.78 174.33 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 108.027 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.4 m80 -76.72 128.57 34.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.466 ' CE ' ' HG2' ' A' ' 153' ' ' GLU . 10.2 ttpt -56.87 -17.62 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.92 -51.9 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.8 m -70.98 -59.01 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 108.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.591 ' CD2' HG12 ' A' ' 131' ' ' VAL . 2.0 t80 -32.79 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.472 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 2.1 ptt180 -143.73 166.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.9 t -64.27 126.94 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.32 33.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -133.78 -46.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.7 p -110.23 -23.6 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.85 58.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -86.52 118.8 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.472 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 89.2 p -52.4 145.9 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -174.31 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 140' ' ' LYS . 2.4 mt-10 -156.54 -66.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 166.64 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 m 38.99 48.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.3 m -169.07 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 169.69 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.525 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -143.27 115.7 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 6.0 p-10 -90.59 104.11 16.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 95.31 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 43.89 59.21 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.53 -45.65 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 47.2 mm-40 -56.09 163.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 143' ' ' PHE . 13.6 pt -136.99 135.49 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.3 m-85 -148.59 -174.02 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.0 p -100.58 147.8 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -43.81 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.47 -32.07 60.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.6 m -80.63 -47.95 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 2.5 t80 -56.65 -31.99 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.465 ' HA ' ' CA ' ' A' ' 175' ' ' GLY . . . -81.0 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 6.3 mtpm? -45.83 -60.15 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.633 ' HB3' ' CD2' ' A' ' 174' ' ' PHE . 6.7 m120 -38.27 -42.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.633 ' CD2' ' HB3' ' A' ' 173' ' ' ASN . 3.6 p90 -179.04 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 174' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 3.6 mttt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -123.3 126.75 47.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.0 t -83.79 108.64 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.84 4.62 60.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.88 -68.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -78.06 -24.86 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.28 27.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 146.16 47.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 138.69 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 31' ' ' HIS . 22.3 t -104.27 141.08 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.69 169.63 8.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.51 91.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 -60.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -113.9 -74.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' OE2' ' CB ' ' A' ' 8' ' ' LYS . 7.9 tp10 39.43 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 52.9 t -91.99 117.58 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.05 155.81 40.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -137.71 141.18 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -36.29 -53.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.82 47.14 1.03 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 171.78 -164.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.422 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 m -170.53 131.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.5 m-85 -140.12 173.89 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG21 ' A' ' 17' ' ' VAL . 52.4 m80 -66.25 174.62 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 9.8 tttm -67.73 -61.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 p -60.11 -34.85 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.2 m -56.21 -38.85 71.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 49' ' ' VAL . 4.6 t80 -63.72 79.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.2 132.43 23.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 47.5 t -45.02 115.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.74 15.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' CYS . 18.1 t -113.62 -71.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -75.82 -23.12 55.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.5 ttmt 81.42 23.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -95.13 130.02 42.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.53 146.37 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD12 ' CG2' ' A' ' 49' ' ' VAL . 6.2 mt -126.91 166.53 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 171.42 113.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.2 p 50.99 55.45 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -138.55 -149.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -88.59 18.97 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 35' ' ' PHE . 1.6 p -56.45 152.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.93 165.83 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -115.19 138.79 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 58.9 t60 -149.36 141.22 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.04 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.18 56.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -173.0 172.4 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.612 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -107.45 149.09 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 7.5 m-85 -148.25 125.36 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -62.4 136.38 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 60' ' ' SER . 30.7 tptt -37.13 -62.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 59' ' ' LYS . 3.4 m -34.57 -50.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.1 m -62.17 -55.77 25.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.1 t80 -43.16 -50.39 6.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.44 75.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -68.44 -56.95 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -62.25 -47.03 86.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.719 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.1 m-85 -60.34 -37.03 79.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.998 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.62 8.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.5 143.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 t -179.88 124.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -177.8 142.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -171.21 120.05 0.48 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.39 4.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -169.31 156.13 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -171.95 92.82 0.41 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -159.64 167.26 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.45 175.5 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -174.02 169.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.92 165.82 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.1 ptm -151.22 170.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.5 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 5.3 m-20 -150.71 -157.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.76 171.69 23.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.1 t -99.75 108.89 53.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -70.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.457 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 25.7 p -79.26 -33.59 43.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.08 -26.55 14.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.21 138.53 57.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 0.72 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.71 165.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 139' ' ' HIS . 71.6 t -136.25 123.64 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -171.06 135.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 67.64 -151.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.52 137.92 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.11 57.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 128.07 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.585 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.4 p -128.62 149.58 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.03 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 149.78 21.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.02 55.44 8.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.26 38.97 5.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 173.17 11.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.5 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 2.9 p -132.96 144.14 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.681 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.5 176.93 11.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.0 m80 -78.34 127.18 31.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -18.76 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.2 p -79.48 -53.16 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.75 -59.71 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.585 ' CD2' HG13 ' A' ' 131' ' ' VAL . 3.9 t80 -33.62 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.7 mtt180 -128.03 170.64 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 32.2 t -72.5 128.34 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.18 34.91 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 -46.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.4 p -111.02 -26.55 9.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.75 19.93 52.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 130.16 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.449 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -50.19 144.07 7.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -110.36 -173.12 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.76 174.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.9 t -50.8 149.32 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.5 m 39.14 65.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.51 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 159' ' ' ASP . 0.1 OUTLIER -71.76 169.53 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -145.02 98.67 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.475 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -86.1 104.27 15.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 76.78 9.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.62 -76.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -121.96 -13.89 4.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.6 mm-40 -92.3 168.29 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 6.4 pt -137.32 135.55 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.3 m-85 -148.36 -173.29 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.4 p -99.64 148.91 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.48 -43.87 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.45 -32.16 60.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.2 m -80.51 -47.18 14.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.512 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.5 t80 -57.15 -32.02 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -82.23 -65.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.1 mmtm -45.28 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 3.0 m120 -38.08 -44.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 173' ' ' ASN . 3.9 m-85 -133.78 63.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -121.62 121.62 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.5 t -80.93 105.54 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.251 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.43 6.29 61.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.8 t -94.2 -65.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 29.0 p -84.52 -23.0 29.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.6 tt0 83.84 29.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 175.46 5.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.81 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG1' ' HG3' ' A' ' 22' ' ' GLU . 98.2 t -109.24 135.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 4.7 t80 -113.93 123.1 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 18' ' ' TYR . 18.2 p90 -37.51 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . . . 174.57 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 32' ' ' LYS . 4.7 pt-20 -134.5 44.57 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 tt0 -92.06 132.59 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 74.3 t -120.11 117.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -97.2 161.61 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.84 170.57 20.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.01 110.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.45 54.81 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -171.04 168.73 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 50.3 p -169.86 123.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.6 OUTLIER -138.28 165.03 27.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 73.2 m80 -59.92 155.03 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.632 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' CG ' ' HB2' ' A' ' 21' ' ' GLU . 9.4 ptmt -52.21 -36.58 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -93.93 23.57 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 35.4 m -127.08 31.41 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 1.8 t80 -133.59 87.3 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -141.55 133.36 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 44.4 t -45.4 114.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 14.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 37' ' ' CYS . 15.7 t -113.51 -72.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 9.5 p -74.5 -24.34 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 83.63 21.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 126.98 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' N ' HD11 ' A' ' 36' ' ' LEU . 9.4 p30 -64.51 147.77 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -124.88 163.69 21.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.96 -66.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 p 170.16 110.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.12 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 13.3 t -136.84 62.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -113.06 173.35 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 62' ' ' TYR . . . -155.54 164.78 38.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.39 154.49 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -156.0 127.0 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.16 -117.74 3.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.83 47.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -159.31 165.3 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.596 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -114.52 148.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 2.0 m-85 -145.63 143.79 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' LYS . 19.7 p -78.01 136.59 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' THR . 11.7 tttt -38.34 -61.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -34.14 -49.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 16.7 m -62.96 -57.1 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.327 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -43.02 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.66 -26.75 72.13 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -44.85 76.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -69.63 -55.72 9.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 62' ' ' TYR . 12.6 m-30 -58.22 -28.11 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.52 173.35 41.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -178.41 169.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p 178.42 167.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 166.76 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.84 95.0 0.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.83 9.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -171.73 158.98 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 176.77 99.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 175.31 161.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.1 175.96 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 161.56 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.24 165.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.23 170.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 0.8 OUTLIER -160.67 -153.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.51 172.13 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.6 t -99.42 108.93 52.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -2.35 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.16 -70.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.451 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 24.6 p -79.41 -34.84 41.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.52 -25.92 14.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -61.15 141.57 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 163.2 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -134.94 117.11 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -159.7 139.18 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.496 ' O ' ' CD ' ' A' ' 130' ' ' LYS . . . 66.34 -157.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.04 134.45 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 77.67 61.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -146.11 93.04 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.6 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.9 p -84.73 149.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 34.6 mm -127.02 116.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.54 146.25 15.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 45.68 59.54 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.89 39.48 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -140.47 168.75 19.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -128.73 137.7 51.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.677 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -156.3 175.38 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.5 m80 -79.75 127.61 32.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.13 -16.81 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -51.99 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.502 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.19 -59.68 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 164' ' ' ILE . 2.2 t80 -29.24 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.465 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptt180 -139.21 168.58 19.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.95 125.88 25.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.42 31.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -46.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.4 p -111.0 -26.45 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.29 20.67 44.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -88.19 118.09 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 98.3 p -49.64 145.65 4.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.57 -173.68 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -141.3 -65.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 t -175.89 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 156' ' ' THR . 23.5 m -81.1 67.21 6.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 169.46 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.42 173.62 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.509 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -139.06 111.04 7.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.48 93.64 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.0 OUTLIER -91.28 -163.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.92 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . 44.73 34.72 3.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.7 mm-40 -136.77 162.35 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 143' ' ' PHE . 18.4 pt -130.69 136.67 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.5 m-85 -146.63 -173.65 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.5 p -101.35 150.03 23.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -43.79 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.66 -30.31 62.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.3 m -81.89 -47.56 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 1.8 t80 -57.84 -32.56 67.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.29 -61.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 173' ' ' ASN . 8.7 mtpt -47.32 -60.74 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 172' ' ' LYS . 99.1 m-20 -39.66 -39.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 171' ' ' ALA . 4.9 m-85 -123.28 58.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.75 121.93 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.5 t -81.89 107.74 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.04 4.55 61.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -95.48 -67.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.9 p -79.5 -23.24 43.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 83.27 27.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 146.13 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.47 153.04 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG21 ' CD2' ' A' ' 31' ' ' HIS . 47.8 t -119.86 156.3 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' N ' HG11 ' A' ' 17' ' ' VAL . 2.5 m-85 -121.58 118.61 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 25.0 p90 -37.61 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.52 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -111.2 -13.82 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.3 pt-20 -38.95 133.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.532 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 53.4 t -116.11 117.19 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 165.67 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -148.79 145.44 27.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' CYS . 33.1 mt-10 -37.6 -52.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.84 48.7 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 176.44 -174.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 0.722 . . . . 0.0 110.002 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.465 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 48.3 p 179.46 117.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.41 172.33 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 36.7 m80 -59.19 175.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 10.5 ttpp -71.79 -55.57 7.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -66.13 -36.88 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.59 -39.74 74.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 6.6 t80 -66.74 78.22 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 43' ' ' ASN . 1.2 tt -138.62 134.51 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 41.9 t -44.93 115.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.468 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -78.88 13.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CD2' ' A' ' 57' ' ' TYR . 22.0 t -110.35 -70.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.0 p -76.86 -23.55 52.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 30.2 tttt 81.43 24.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 126.25 50.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -47.48 146.09 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 58' ' ' CYS . 32.1 mt -120.89 155.4 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -147.85 175.98 10.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 p -63.85 96.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 t -163.12 -50.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' OG1' ' CD ' ' A' ' 59' ' ' LYS . 11.8 t -170.09 39.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -85.82 146.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 62' ' ' TYR . . . -127.33 164.92 20.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 4.5 t -120.49 148.06 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -151.39 134.83 16.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.623 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.79 -104.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.77 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 1.0 OUTLIER -167.37 168.85 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.631 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -107.74 149.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 4.9 m-85 -146.92 136.18 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.0 p -74.05 135.84 43.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -37.34 -62.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -34.15 -50.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.2 m -61.5 -58.16 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.281 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.59 -52.1 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.85 -25.21 75.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -69.32 -57.91 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -46.54 90.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -61.17 -39.15 89.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.991 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.41 156.53 8.71 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -178.48 166.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.19 167.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 170.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.82 94.98 0.11 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.6 p -132.08 177.82 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.12 99.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 p30 177.75 154.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.23 164.07 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p 178.19 160.25 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -179.19 158.92 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -178.77 159.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.64 -156.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.65 172.0 18.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -100.92 108.27 53.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -70.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.492 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.2 p -77.52 -33.05 54.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.12 -23.61 26.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.42 140.82 58.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.91 161.58 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 139' ' ' HIS . 89.2 t -134.31 123.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 126' ' ' TYR . 37.1 p90 -174.59 120.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 67.18 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.96 134.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.92 50.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.467 ' HG2' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -127.15 122.03 33.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.6 p -128.9 146.4 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.444 HD11 ' CD ' ' A' ' 130' ' ' LYS . 3.4 mp -124.05 116.08 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.33 140.99 9.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 48.49 56.26 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.85 36.47 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -139.57 163.11 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.609 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 50.1 m -121.74 148.72 44.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.674 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -166.48 171.94 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -71.24 123.94 23.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.476 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 3.0 tttm -67.25 73.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 3.2 t 162.82 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' PHE . 1.5 p -80.57 -28.03 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.331 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.586 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -34.18 100.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.99 155.37 20.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.7 t -75.49 126.65 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.246 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.01 34.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.56 -46.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.0 p -109.92 -21.5 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.22 18.51 69.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.55 133.1 37.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.81 120.86 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -94.72 -174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -166.47 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.8 p -76.37 174.27 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 5.8 m -72.75 61.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 167' ' ' LYS . 98.6 m -123.01 31.12 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.586 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -99.97 166.45 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.234 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.517 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -130.68 117.62 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 14.1 p-10 -95.45 89.36 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -124.71 139.63 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 46.43 61.55 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 39.12 36.4 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.511 ' CB ' ' CZ ' ' A' ' 165' ' ' TYR . 4.1 mm-40 -134.77 152.03 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.566 HG22 ' CZ2' ' A' ' 138' ' ' TRP . 1.4 pt -112.43 130.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 163' ' ' GLU . 34.7 m-85 -137.57 -177.08 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.5 p -96.23 147.77 23.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 156' ' ' THR . 0.0 OUTLIER -46.52 -41.49 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.2 -30.88 64.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -80.85 -47.33 13.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.517 ' CG ' ' HB2' ' A' ' 158' ' ' ALA . 2.1 t80 -58.26 -32.67 68.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.38 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 173' ' ' ASN . 5.7 mmtm -47.36 -60.92 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 172' ' ' LYS . 5.1 m120 -39.56 -38.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.2 m-85 -123.46 58.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.972 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -125.74 110.69 14.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.5 t -69.29 107.78 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.92 4.61 60.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.84 -68.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -79.1 -25.62 43.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 8.7 tt0 86.44 27.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -119.76 145.95 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 134.56 48.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 31' ' ' HIS . 21.7 t -99.35 119.52 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CZ ' ' CB ' ' A' ' 20' ' ' ALA . 2.1 p90 -69.99 125.41 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -37.8 105.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' CB ' ' CZ ' ' A' ' 18' ' ' TYR . . . -172.57 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -113.45 -74.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 43.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.617 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 69.5 t -78.37 117.09 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.85 162.4 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.15 164.81 20.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.14 111.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.95 55.13 1.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -179.04 168.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.23 127.5 1.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.8 OUTLIER -134.61 171.38 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 17' ' ' VAL . 56.9 m80 -64.96 172.19 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -59.86 3.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -62.01 -35.22 77.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 m -58.36 -43.44 88.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.617 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 4.6 t80 -67.26 78.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -135.11 133.14 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -42.6 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.331 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 mmt -77.25 7.14 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 47.9 t -103.18 -72.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -74.16 -25.51 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER 84.53 24.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.73 132.68 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -46.0 145.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 49' ' ' VAL . 12.4 mt -122.19 144.01 49.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -138.15 175.81 9.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -67.91 104.41 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -167.57 -48.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 48' ' ' THR . 5.6 t -171.92 45.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 44' ' ' LEU . 10.9 p -92.74 146.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.704 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -127.47 164.16 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.7 151.55 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' CB ' ' OH ' ' A' ' 62' ' ' TYR . 13.6 t-160 -176.82 145.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.02 56.14 7.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.35 41.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 9.8 mt-10 -141.9 171.95 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.609 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -124.09 135.2 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.691 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.5 m-85 -146.49 143.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 22.3 p -73.42 131.96 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -40.51 -52.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 58' ' ' CYS . 1.6 m -68.67 -55.55 11.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.704 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 3.9 m-85 -43.35 -51.25 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.41 80.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -61.97 -40.67 96.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -54.87 8.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 22.7 m-85 -57.44 -21.2 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.987 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.4 158.02 29.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -140.91 139.74 34.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.72 150.35 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -173.01 145.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.28 94.48 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.08 23.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -146.52 138.26 24.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.82 154.85 39.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.98 38.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.07 160.93 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.74 82.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.71 123.26 17.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.45 141.7 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 147.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER 175.78 175.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -94.6 170.91 30.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 49.5 t -96.68 109.39 48.12 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.563 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -67.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -82.05 -38.15 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.04 23.44 8.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.2 136.42 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.47 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.73 147.71 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 139' ' ' HIS . 49.1 t -131.14 116.37 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.9 -51.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.62 -168.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.25 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.29 56.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 136.57 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.593 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -132.6 147.03 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.23 115.56 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.79 153.2 25.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 45.3 53.86 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 42.67 43.72 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.433 1.083 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -150.18 158.33 44.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.438 ' HB2' ' CB ' ' A' ' 116' ' ' ASP . 6.1 m -117.94 139.0 51.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.672 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.02 171.96 18.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 44.6 m80 -74.94 127.93 34.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -18.49 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -76.76 -52.69 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.9 m -69.24 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.605 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -33.79 103.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 140.86 28.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.3 t -41.48 126.95 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.2 -46.56 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.3 p -110.07 -19.55 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.01 18.62 71.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 119.58 24.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 86.4 p -56.24 140.3 45.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 -175.0 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 178.84 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 176.31 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.9 t -73.19 58.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.411 HG23 ' NZ ' ' A' ' 167' ' ' LYS . 26.6 m -130.8 33.14 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.7 OUTLIER -109.13 -178.56 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.514 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -145.13 117.23 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 12.9 p-10 -93.38 99.79 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.51 96.66 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 41.35 58.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 94.89 -49.53 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.1 mt-10 -52.23 158.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.8 pt -133.83 133.21 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -144.4 -175.3 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.8 p -98.49 148.89 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 8.3 pttm -47.04 -39.53 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -60.01 -30.0 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.1 m -81.54 -48.15 12.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.551 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -58.35 -33.39 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.19 -62.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.8 OUTLIER -47.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 172' ' ' LYS . 7.9 m-20 -39.42 -38.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.6 m-85 -122.08 58.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HD2' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.63 127.23 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.1 t -84.23 108.41 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.35 61.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.47 -68.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -77.82 -24.3 48.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.1 tm0? 83.7 26.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.31 144.89 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 156.89 15.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 31' ' ' HIS . 43.9 t -130.72 161.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -95.02 176.09 6.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -83.48 69.69 10.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.67 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.84 -44.15 96.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -40.42 124.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 35' ' ' PHE . 57.3 t -118.21 117.19 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.05 126.14 30.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.79 138.71 44.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.16 105.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.94 -56.02 0.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.77 177.53 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.434 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 87.5 p -113.49 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -132.58 164.67 26.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CD2' HG21 ' A' ' 17' ' ' VAL . 38.6 m80 -57.42 162.35 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -58.64 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.73 -30.11 71.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -57.82 -42.84 85.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -64.54 75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 41.9 t -42.07 114.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.29 13.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.1 t -112.62 -72.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 p -75.34 -20.6 58.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.339 179.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER 78.03 22.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 134.97 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' N ' HD13 ' A' ' 36' ' ' LEU . 13.6 m120 -60.78 142.48 55.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 2.9 mt -112.58 157.17 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.93 174.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.8 m -88.4 41.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -128.77 8.19 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG21 ' CE1' ' A' ' 35' ' ' PHE . 9.2 p -80.26 155.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . . . -139.59 164.46 29.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.01 173.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -162.51 169.71 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.608 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.71 100.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 43.73 52.47 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -163.95 162.24 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 3.0 pt -127.11 128.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.8 m-85 -136.21 154.18 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' LYS . 14.4 p -90.41 158.68 16.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -39.26 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.7 m -33.65 -68.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 m -41.98 -54.19 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 1.3 t80 -43.72 -64.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.22 -16.35 41.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -73.65 -52.51 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -53.83 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -61.44 -40.12 93.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.987 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.94 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.3 169.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -176.43 169.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.65 174.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.98 148.91 19.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.79 5.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -168.45 161.11 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -163.48 99.83 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.56 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -157.28 167.74 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -177.01 170.95 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -178.84 170.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.9 167.37 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.3 ptm -162.54 170.52 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -167.26 -156.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -126.25 170.71 18.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.504 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 36.7 t -100.12 108.29 51.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 138' ' ' TRP . 18.5 Cg_endo -74.98 0.21 9.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -93.0 -69.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.507 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 14.1 p -77.33 -33.74 55.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.133 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.38 23.43 16.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -112.6 135.83 52.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.49 145.93 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' ' 118' ' ' CYS . 59.3 t -133.25 129.81 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.95 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -72.25 -168.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.47 147.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 72.88 56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.409 ' HG3' ' CG1' ' A' ' 125' ' ' VAL . 3.7 ttpt -129.51 101.05 5.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.3 p -93.18 148.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.29 115.36 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.86 20.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 45.49 57.03 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.99 42.05 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -146.01 162.05 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.2 OUTLIER -120.97 141.45 50.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -161.35 171.06 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.507 ' CE1' ' SG ' ' A' ' 121' ' ' CYS . 40.6 m80 -69.07 128.0 35.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -67.12 70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 139' ' ' HIS . 6.0 p 166.55 -50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.968 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.6 p -60.95 -27.6 68.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.05 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.59 137.09 45.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 34.0 t -64.32 128.74 37.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 35.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.512 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.9 OUTLIER -135.84 -46.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.3 p -109.58 -17.25 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 72.58 16.11 77.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.85 133.46 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 t -68.03 121.5 16.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.2 OUTLIER -88.99 -173.3 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.1 71.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.05 53.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.3 m -132.92 56.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 167' ' ' LYS . 94.8 m 49.44 91.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.477 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -99.66 127.83 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -84.47 154.16 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -131.29 95.34 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.62 99.58 11.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 13.8 m-20 38.57 70.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.08 -48.99 4.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 30.9 mm-40 -53.1 149.08 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.576 HD12 ' CE1' ' A' ' 143' ' ' PHE . 1.2 pt -127.25 134.67 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 42.7 m-85 -143.36 -177.01 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -96.85 144.13 27.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 156' ' ' THR . 2.0 pttt -46.11 -40.71 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.15 -31.37 65.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -80.39 -47.78 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' TYR . . . . . 0.524 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.7 t80 -57.77 -32.59 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.04 -63.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.3 -61.94 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.459 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 51.6 t-20 -38.76 -38.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.8 m-85 -123.73 58.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 154.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.52 -63.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 107.997 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.9 -126.88 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.77 -173.43 23.6 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA2' ' CD2' ' A' ' 19' ' ' PHE . . . 175.99 -173.94 46.59 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -102.74 177.09 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.707 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' SER . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -39.7 160.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.79 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -104.98 -63.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.71 -161.85 32.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -97.65 176.14 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.85 -140.16 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.43 -147.23 8.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -164.7 169.83 16.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.65 -171.51 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.97 175.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.7 151.16 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -172.53 155.51 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 tp -172.14 147.52 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 t -169.17 143.33 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -172.58 151.98 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 179.56 140.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.89 162.16 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.33 113.98 2.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.19 126.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.3 p -179.44 137.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.412 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.39 150.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.237 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.03 160.85 23.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tt -173.6 154.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -163.7 158.65 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -167.01 168.16 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.76 171.06 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.26 170.64 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.78 163.43 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.14 141.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.8 131.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.04 172.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.18 -164.18 11.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.69 -129.09 2.9 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p 56.98 164.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.576 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CD2' HG13 ' A' ' 131' ' ' VAL . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.478 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.512 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.94 161.16 30.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.3 10.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 172.68 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -139.17 151.54 21.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -75.71 157.75 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -109.52 170.56 14.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -145.07 171.12 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -142.42 -167.6 11.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.96 164.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -116.33 -157.33 11.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.05 122.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -75.01 -128.32 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.52 156.54 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -142.95 176.35 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 2.5 pp -121.0 168.47 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 162.76 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.35 132.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.91 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -95.21 166.43 11.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -129.55 161.71 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.56 162.93 11.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.29 153.52 8.76 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -145.39 15.35 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 178.67 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.564 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG12 ' CD2' ' A' ' 35' ' ' PHE . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CD2' HG23 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' N ' HD11 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' CE1' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.716 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' LYS . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.405 ' OH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.59 159.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.92 158.81 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.77 -160.33 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -168.9 176.51 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.67 164.93 37.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 176.81 1.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.09 166.36 30.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.5 ttt -178.12 151.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.86 -163.76 10.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.06 175.73 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.76 175.17 43.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -154.46 160.46 41.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.82 174.69 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 t -170.28 153.46 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -163.63 138.94 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -145.47 163.15 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 176.58 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.84 156.5 18.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 179.41 159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -178.31 169.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.7 166.58 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.14 173.46 40.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.9 151.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.06 174.64 11.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -168.66 160.79 10.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.07 171.16 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -153.39 171.36 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.49 175.98 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -138.2 171.16 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -140.86 176.59 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.08 168.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.43 -170.76 14.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -117.56 151.32 18.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p -178.9 166.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.497 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.681 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 170' ' ' TYR . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.492 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -158.0 -145.41 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.64 8.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.72 121.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -91.31 174.93 38.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.51 168.67 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.31 157.36 29.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -110.46 167.72 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 147.56 89.48 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.82 162.2 6.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 172.49 152.5 8.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.21 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 102.85 73.99 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.96 -61.11 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.356 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.9 mp -53.1 157.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.99 145.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -46.0 166.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.594 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 60.6 p -114.11 87.14 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.493 0.187 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 179.76 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.45 144.83 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -179.32 161.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.022 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.98 158.65 8.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.75 163.06 12.21 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.81 154.13 7.84 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -107.09 -179.09 3.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.683 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' LYS . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.24 158.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.99 5.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 170.93 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.89 -169.88 34.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.83 176.69 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.38 39.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.15 172.84 16.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.88 155.68 11.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.12 163.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.46 154.47 13.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.5 166.19 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -157.55 169.52 34.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -154.68 164.34 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.54 162.18 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.97 160.61 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -149.94 159.96 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.34 158.26 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 164.04 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.61 162.49 11.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -171.14 157.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.8 m -159.46 157.69 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.6 162.2 39.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.38 140.41 2.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -172.55 146.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 145.34 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.7 152.99 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -179.62 136.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.25 158.87 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.89 147.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.38 159.33 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 158.22 3.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.87 144.0 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.87 -143.87 15.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.18 100.81 0.93 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p -178.41 170.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.425 ' N ' ' NZ ' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 126' ' ' TYR . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 143' ' ' PHE . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.652 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.574 HD12 ' CD1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.473 ' CG ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 169.82 81.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -87.05 138.73 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.74 -82.72 0.83 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.54 171.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 164.09 147.81 5.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.05 123.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -158.25 94.66 0.14 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.4 110.24 21.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.85 115.9 0.85 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -124.44 -61.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.77 97.42 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -76.02 121.45 22.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.05 103.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.6 tt -78.61 148.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 144.12 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.92 97.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.32 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -134.21 150.16 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -157.45 126.21 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.49 164.19 34.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.91 174.37 40.01 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' HA3' ' CD2' ' A' ' 18' ' ' TYR . . . -90.88 -127.2 3.6 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.1 169.68 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.554 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 23' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.664 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.494 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.57 170.24 2.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.23 40.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 154.04 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.02 -159.93 5.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -161.14 161.62 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.63 -146.09 9.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.98 163.61 32.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 -154.02 22.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.83 163.67 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.97 -144.65 13.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.49 176.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.5 -174.49 13.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -139.39 169.7 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.02 171.03 18.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.4 p -173.03 168.57 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -170.64 145.16 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -145.32 146.06 31.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -174.88 143.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.14 147.81 5.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.37 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t 177.92 145.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tp -177.17 158.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.28 106.37 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.27 157.78 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 131.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -173.52 118.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -177.5 132.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -177.32 146.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -137.61 175.57 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.41 170.98 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 176.39 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -141.53 168.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -109.74 -157.55 17.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.5 158.3 14.39 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p -177.45 142.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.507 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.677 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CD2' HG21 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.498 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.475 HG23 ' CZ2' ' A' ' 138' ' ' TRP . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 172.68 69.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.759 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.53 108.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -95.13 155.98 21.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -175.55 139.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 0.8 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.8 157.44 27.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -175.59 125.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -113.21 -177.74 19.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -160.73 154.45 22.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -150.98 144.75 12.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -163.49 166.11 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.64 167.68 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -166.37 117.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.68 130.15 20.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.98 143.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.62 168.54 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.01 116.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.68 108.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CG ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -179.63 160.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 4' ' ' TRP . . . 128.65 143.64 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.36 147.07 7.08 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 142.3 4.08 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.86 177.91 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG23 ' CD2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.531 HG13 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CD2' HG23 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD2' HG13 ' A' ' 23' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.699 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.421 ' N ' HD12 ' A' ' 36' ' ' LEU . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' O ' ' CG2' ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 47' ' ' THR . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.699 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.86 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -167.18 175.94 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.37 46.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 176.32 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.95 176.8 46.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -176.82 176.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.764 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.91 -178.86 45.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 168.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.45 36.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.37 175.31 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.06 -175.12 28.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -172.33 145.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.405 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.99 174.26 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 p -178.67 168.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -172.26 161.2 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -179.22 167.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 158.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.36 167.19 39.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.3 167.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p 178.84 168.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.46 175.47 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.67 159.63 20.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 pt -137.05 176.48 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.17 158.51 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.3 163.3 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -179.82 158.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -172.97 164.21 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -163.17 174.85 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.58 169.16 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -143.27 175.75 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -172.54 167.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.6 -156.22 6.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.71 155.88 17.52 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -178.18 159.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.577 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.412 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.73 -145.51 12.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 135.7 29.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -168.47 146.64 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -175.71 118.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -97.43 168.21 23.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -52.88 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 102.21 -135.88 12.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -123.51 165.53 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -137.32 177.74 19.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 52.64 175.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.75 -59.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.91 175.0 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.79 79.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 190' ' ' HIS . 42.0 pt -108.53 128.58 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -39.33 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 12.2 p -58.14 124.25 18.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.8 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.516 0.198 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.46 167.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 75.6 t-105 -121.01 167.25 12.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 4' ' ' TRP . . . -124.46 -159.07 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.75 -143.72 4.13 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.53 -153.52 6.02 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.45 173.55 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -124.71 116.46 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 41.7 t -79.38 107.73 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.54 61.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 p -80.62 -19.99 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 108.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 79.43 27.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -118.45 149.96 40.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 138.15 45.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 31' ' ' HIS . 19.8 t -104.86 145.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 158.91 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.15 96.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.0 -60.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' GLU . 42.6 mp0 -106.68 -77.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLU . 11.7 pt-20 38.38 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 40.7 t -78.96 117.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -76.17 145.6 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 77.2 m -147.82 156.21 42.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -40.46 116.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 39.33 52.82 2.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 175.59 172.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.4 p -161.67 132.8 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.1 m-85 -137.46 167.63 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 17' ' ' VAL . 73.3 m80 -60.44 168.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 2.0 tttm -60.48 -44.08 96.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.37 34.26 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 m -129.52 21.69 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 108.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -129.01 86.66 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -144.79 134.43 23.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.7 t -47.67 112.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 5.89 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.681 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 54.1 t -101.86 -73.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.6 p -72.44 -23.34 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.347 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER 81.45 23.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.01 134.49 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' N ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-80 -45.15 153.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 49' ' ' VAL . 10.1 mt -117.37 174.11 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.21 166.41 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 94.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -167.33 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 48' ' ' THR . 14.9 t -166.9 59.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG22 ' CE1' ' A' ' 35' ' ' PHE . 4.2 p -110.49 159.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.7 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -151.88 163.3 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' C ' ' OH ' ' A' ' 62' ' ' TYR . 3.3 t -124.22 166.66 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -164.35 121.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.04 -107.05 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.25 43.33 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mp0 -148.87 164.21 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -131.38 135.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.681 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 9.0 m-85 -140.67 166.57 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 17.1 p -93.64 134.54 35.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CB ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -41.16 -55.98 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LYS . 47.8 t -38.65 -42.06 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.3 m -70.62 -57.95 4.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.7 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 6.0 m-85 -40.31 -51.37 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.72 79.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -39.42 81.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -53.84 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 23.4 m-85 -57.84 -18.71 23.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.53 98.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 178.2 7.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -133.37 175.73 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.72 158.91 23.66 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 163.25 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.14 153.8 7.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -174.4 170.04 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.71 153.62 7.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.6 ptm -179.22 163.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.94 164.97 27.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.12 172.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.1 164.11 32.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -172.65 149.22 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -176.53 151.61 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.3 p -162.44 167.85 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 t -172.67 151.07 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -168.84 166.97 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -158.8 176.78 11.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.0 -176.19 37.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.94 165.53 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 t -175.61 156.35 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' C ' ' CD2' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -154.1 176.84 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.08 154.28 7.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.1 tt -170.63 161.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -175.82 151.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -171.73 158.0 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.94 155.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.08 162.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.88 151.24 5.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.53 161.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.6 p 177.81 144.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -173.89 150.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -177.95 85.31 0.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.56 42.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.2 t -172.63 144.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 26.6 p-10 177.6 99.85 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.96 154.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -179.46 155.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.98 153.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.64 152.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.19 159.96 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.13 151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 151.64 2.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.2 p -172.77 143.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.17 -173.65 27.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.83 154.69 8.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.9 p 54.96 170.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.76 -156.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -124.42 171.58 16.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.81 108.01 51.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.98 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.405 ' HA ' ' NH1' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -95.91 -71.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.454 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 23.1 p -76.56 -30.95 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.75 -23.29 31.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.18 143.24 57.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -62.61 160.2 14.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 139' ' ' HIS . 95.7 t -133.07 119.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -153.34 138.68 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 67.16 -159.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.66 140.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.93 58.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -144.77 100.25 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.1 p -93.27 148.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.41 115.76 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.63 18.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 45.6 59.97 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.03 40.03 1.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -144.02 166.05 26.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -125.44 147.78 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -166.28 171.28 12.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 125' ' ' VAL . 41.6 m80 -71.64 126.28 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 4.8 tttt -67.73 69.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.5 t 170.62 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.6 p -72.3 -30.65 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.57 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -121.4 148.09 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.99 127.65 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.51 35.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 -46.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.11 -21.2 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.79 72.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.68 158.37 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.7 p -82.27 145.13 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.05 -174.44 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 -64.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 156' ' ' THR . 0.6 OUTLIER -160.57 151.55 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 157' ' ' LEU . 69.3 m 67.85 -64.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' SER . 67.8 p -44.69 -26.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -73.37 146.51 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -127.64 118.88 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 38.8 p-10 -90.54 95.87 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -118.33 126.31 51.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 33.6 t0 55.25 27.67 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.83 -28.73 6.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -69.2 163.24 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -122.09 129.4 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 36.3 m-85 -138.04 -173.7 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.7 p -94.76 148.0 22.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -45.98 -42.18 12.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.08 -31.33 65.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 2.2 m -79.08 -46.62 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.518 ' CG ' ' HB2' ' A' ' 158' ' ' ALA . 2.5 t80 -57.75 -31.95 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.35 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 173' ' ' ASN . 60.2 mttm -47.92 -66.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.4 t-20 -38.35 -33.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' ALA . 81.3 m-85 -119.03 58.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -169.87 67.3 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 168.15 25.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -171.81 62.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 153.26 -131.36 3.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -123.54 172.64 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -147.05 -167.76 13.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -112.13 134.79 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -63.86 145.29 49.69 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -125.6 164.48 20.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 0.725 . . . . 0.0 110.306 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -124.22 -179.57 15.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -157.56 146.16 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.32 142.7 4.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -176.16 144.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.66 62.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -171.25 67.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -106.95 70.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 11.7 p -92.15 134.11 35.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.5 167.82 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.56 175.92 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.85 -141.09 9.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.83 -145.68 8.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . -141.33 -137.88 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -102.0 179.31 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.44 44.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -89.63 108.87 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.42 5.05 61.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.624 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -97.04 -67.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.7 p -78.91 -27.5 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 86.57 28.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -119.09 150.76 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 154.68 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 10' ' ' CYS . 46.0 t -132.52 144.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.421 ' N ' HG13 ' A' ' 17' ' ' VAL . 17.5 m-85 -80.49 -179.84 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CE2' ' HA2' ' A' ' 7' ' ' GLY . 1.8 m-85 -93.93 78.35 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 169.85 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 25.5 pt-20 -60.17 -37.04 78.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -39.21 130.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG12 ' CD2' ' A' ' 35' ' ' PHE . 69.4 t -122.14 118.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -80.51 136.86 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.407 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 3.8 t -141.5 139.48 33.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 105.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.75 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.4 176.91 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -113.58 132.07 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.5 m-85 -127.63 170.99 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 49.3 m80 -58.2 171.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -71.06 -45.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.8 p -72.07 -35.55 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.42 -42.16 81.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' HG12 ' A' ' 23' ' ' VAL . 1.3 t80 -68.5 75.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -136.66 134.41 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' CA ' HD13 ' A' ' 44' ' ' LEU . 49.7 t -48.47 112.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 9.67 4.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.689 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 45.0 t -105.14 -68.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 13.1 p -78.57 -27.31 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.321 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 87.75 24.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.24 129.0 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -56.2 146.44 23.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD13 ' CA ' ' A' ' 37' ' ' CYS . 14.9 mt -124.74 115.83 21.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.62 61.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.49 171.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.1 p -55.78 -165.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 48' ' ' THR . 2.1 m 62.71 12.62 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -100.81 148.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.647 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -129.81 162.85 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.406 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 3.6 t -123.64 168.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 t60 -165.65 108.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.48 -108.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.36 38.96 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 21.5 mm-40 -146.71 157.81 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -122.92 139.75 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.9 m-85 -144.52 142.56 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 18.8 p -75.67 137.63 40.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -44.66 -56.26 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.4 m -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 5.6 m -68.31 -56.52 8.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.647 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 2.4 m-85 -43.81 -51.06 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.87 -30.68 70.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.24 92.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.95 -60.37 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -56.58 -21.73 28.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.89 157.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.7 4.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.68 173.4 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.75 176.68 45.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.25 176.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.38 176.51 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -174.06 176.22 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 73' ' ' LYS . . . 160.84 157.05 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -179.11 170.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.08 160.01 11.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.15 176.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.38 151.88 6.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.1 p -144.37 178.74 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -177.21 174.17 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.08 168.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -172.65 166.37 5.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -178.02 167.85 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.26 176.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.97 177.87 47.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.11 171.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.38 170.55 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.23 176.77 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.47 162.22 20.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 tp -172.64 151.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -169.96 153.77 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.96 174.43 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -177.85 171.47 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.52 171.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.48 173.27 46.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.48 171.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.21 170.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.81 174.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 ttp-105 -178.99 94.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -170.86 165.58 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -173.48 99.71 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -173.76 159.6 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.92 171.05 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.2 p -177.37 169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.73 165.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -179.03 168.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -177.13 174.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.06 170.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -175.12 161.17 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -168.88 161.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.36 -173.95 30.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.35 163.47 36.74 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.1 p -178.46 168.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.991 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.99 -154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.26 21.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 42.5 t -101.79 106.49 47.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.612 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 -0.04 9.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.69 -66.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.52 -38.47 23.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.36 -24.36 9.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.39 144.24 57.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -60.67 164.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -134.01 116.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -155.65 -58.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.03 -171.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.27 149.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 80.2 58.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -120.87 97.51 5.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.8 p -90.64 151.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.5 mt -138.24 114.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.88 152.23 24.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 47.23 57.88 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.06 38.84 0.84 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.562 ' HE3' ' CH2' ' A' ' 138' ' ' TRP . 0.4 OUTLIER -142.73 161.54 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.426 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -121.27 142.03 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.643 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.6 -175.94 5.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.5 m80 -81.36 139.68 35.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -78.22 50.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 p -158.21 -43.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 1.7 m -81.83 -29.06 32.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.647 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.6 t80 -52.75 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 0.5 OUTLIER -125.74 159.9 31.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.19 130.86 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.52 38.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -141.38 -47.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.08 -21.85 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.75 86.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -60.75 126.94 29.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.474 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 30.7 t -68.7 141.11 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.86 -174.01 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -154.06 -58.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 p 167.06 78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.402 ' C ' ' CG2' ' A' ' 156' ' ' THR . 32.8 p -141.32 -63.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 155' ' ' THR . 61.2 p -151.74 70.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -102.16 139.07 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.496 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -95.25 152.95 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.452 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 0.7 OUTLIER -130.45 100.47 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.513 ' HE3' ' CZ ' ' A' ' 174' ' ' PHE . 0.4 OUTLIER -94.88 89.51 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 37.67 69.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 95.64 -52.32 1.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -56.25 151.27 12.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -131.73 132.54 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 59.9 m-85 -141.23 -178.51 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 169' ' ' CYS . 27.1 p -94.76 145.99 24.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -46.74 -40.71 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.45 63.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.9 m -81.76 -47.58 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.51 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 2.2 t80 -57.96 -32.29 67.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.55 -63.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 173' ' ' ASN . 33.9 mttp -46.78 -61.99 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.497 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 59.3 t-20 -39.21 -39.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.513 ' CZ ' ' HE3' ' A' ' 160' ' ' LYS . 1.5 m-85 -121.2 60.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -128.72 -85.46 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.61 20.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -99.68 176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 72.0 87.91 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 171.12 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -144.25 170.87 25.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 181' ' ' PHE . 8.8 p90 -136.64 162.68 32.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -155.98 114.16 0.6 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -52.59 142.33 18.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -178.35 62.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -156.76 63.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -84.07 -156.05 22.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -155.51 109.49 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.26 108.98 10.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -81.53 127.67 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.438 ' CD2' ' H ' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -83.52 141.21 31.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 10.0 p 58.36 112.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.9 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.99 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.772 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.69 167.68 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -165.78 158.8 15.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 107.955 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.94 166.65 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.22 179.96 48.81 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.85 -179.34 47.92 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -110.79 177.07 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -130.98 119.15 21.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -79.58 106.54 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.9 4.12 62.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.52 -68.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.04 -23.82 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.74 27.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' NZ ' ' H ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -117.72 149.81 40.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.645 ' H ' ' NZ ' ' A' ' 15' ' ' LYS . . . -69.23 145.73 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 31' ' ' HIS . 48.4 t -115.1 158.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.14 131.09 41.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.97 101.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.83 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -143.67 49.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.09 150.26 23.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 45.3 t -127.8 123.05 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -104.01 146.35 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.94 135.51 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.45 104.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.74 -55.52 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -154.11 172.88 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.16 134.38 51.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 2.0 m-85 -132.06 164.93 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CD2' HG23 ' A' ' 17' ' ' VAL . 66.7 m80 -57.49 160.21 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.2 tttp -57.07 -38.11 72.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.99 20.45 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 16.6 m -120.72 28.2 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 6.2 t80 -124.97 68.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -134.57 134.51 41.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 49.6 t -47.95 113.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 9.27 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.652 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -103.68 -67.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -79.85 -26.42 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 5.1 tttt 87.28 23.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 129.82 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.72 146.88 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 37' ' ' CYS . 18.2 mt -124.84 156.76 37.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -153.88 78.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.47 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.9 m 55.03 167.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 48' ' ' THR . 26.9 m 62.61 109.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 47' ' ' THR . 1.9 m 84.46 -45.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 46' ' ' SER . 12.3 p -49.09 144.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -132.49 166.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.68 147.25 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 32.8 t-80 -155.83 122.1 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.53 -101.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -129.49 52.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -165.9 160.03 16.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -110.67 142.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.652 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 24.6 m-85 -146.29 129.02 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.13 143.56 57.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.11 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -30.36 -58.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.5 m -50.59 -60.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.54 -61.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.85 -21.65 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -76.8 -38.75 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -57.96 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -63.98 -45.79 87.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.52 98.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 175.08 11.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -153.41 175.02 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 -175.02 35.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.37 175.63 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.08 175.48 47.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.09 175.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.85 -171.26 32.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 ttm -178.8 168.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.73 -173.78 35.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.25 174.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 164.94 30.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -171.39 163.93 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 143.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.18 165.33 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -171.43 163.82 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 174.64 167.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.25 175.01 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.59 162.08 21.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.5 152.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.52 164.02 4.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.83 164.38 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.48 6.97 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -172.24 151.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.65 164.2 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -173.72 162.78 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.44 165.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 179.73 169.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.56 156.96 8.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.36 167.13 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 165.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 174.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 93.85 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.88 6.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -171.58 161.66 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.6 t30 179.7 99.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -162.54 167.65 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.47 175.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.8 p 178.57 169.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 168.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ttp -178.9 162.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.04 165.37 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -176.62 170.17 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 166.05 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.5 p -170.95 151.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.94 179.41 30.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -175.13 148.67 9.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -161.72 150.46 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 125' ' ' VAL . 1.3 m-20 179.17 175.58 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -96.81 171.46 27.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 40.8 t -98.17 108.96 49.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 18.2 Cg_endo -75.06 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -94.58 -69.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.6 p -80.04 -34.99 37.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.27 22.99 11.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 137.95 46.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.462 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.41 148.25 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 139' ' ' HIS . 57.7 t -129.72 116.03 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -178.02 129.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . 77.59 93.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 61.65 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.66 48.11 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 3.7 pttp -135.73 118.0 15.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.8 p -114.52 146.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.45 115.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.47 152.21 24.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 49.59 40.93 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.46 41.05 71.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.42 159.94 43.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.478 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -116.12 138.91 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.685 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -161.8 173.76 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 35.3 m80 -80.11 117.82 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.643 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 131' ' ' VAL . 0.7 OUTLIER -43.68 -27.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -66.65 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.91 -45.71 92.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.586 ' CD2' HG12 ' A' ' 131' ' ' VAL . 2.2 t80 -47.42 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 21.5 ptt85 -144.09 144.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.5 t -41.82 129.24 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 108.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.19 33.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -135.32 -46.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.6 p -110.11 -18.02 13.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.9 0.03 89.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 121.96 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 36.7 t -60.15 144.23 50.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -175.04 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 140' ' ' LYS . 1.8 mt-10 -143.74 -68.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.3 p 168.62 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 m -157.73 -58.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 10.1 t -105.25 43.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -102.71 144.84 30.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -126.41 119.61 27.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 5.1 p-10 -97.8 105.38 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.71 91.86 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 160' ' ' LYS . 50.2 m-20 40.56 58.87 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.75 -51.49 0.98 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 3.5 mt-10 -53.96 161.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.0 pt -135.62 131.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 60.7 m-85 -144.78 -175.12 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.0 p -99.28 149.11 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -46.62 -42.88 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.33 -29.8 60.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 3.6 m -83.23 -47.32 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 2.4 t80 -57.59 -31.45 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.88 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 38.5 mttt -48.06 -65.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.5 t-20 -38.54 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 171' ' ' ALA . 80.2 m-85 -120.39 58.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -145.59 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.72 163.88 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -96.68 -134.93 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.0 166.77 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.65 -160.54 11.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -172.37 131.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -136.94 140.84 11.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 167.56 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -163.6 -168.13 25.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 60.77 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -172.16 -166.97 31.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -77.11 160.89 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.53 62.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.8 mp 47.62 91.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -90.58 62.28 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 192' ' ' GLN . 0.3 OUTLIER 74.82 -58.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 191' ' ' SER . 6.2 tp60 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.526 0.203 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -167.59 167.28 13.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -169.05 162.13 10.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 108.058 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.85 -148.69 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.91 -158.0 8.2 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.48 -157.79 9.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.47 -177.56 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -135.28 118.74 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 38.5 t -73.9 107.98 6.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.46 61.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.03 -67.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -78.56 -25.61 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 108.27 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.3 tp-100 85.99 27.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -119.13 145.25 46.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.12 12.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.492 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 21.8 t -126.99 158.58 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -132.71 131.69 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.8 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.2 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -144.74 50.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 32.7 tt0 -105.54 148.03 27.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 60.2 t -124.17 118.65 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.6 pt20 -107.55 136.54 47.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.17 145.2 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 116.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.44 -53.89 0.64 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -167.04 173.2 9.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 95.0 p -125.55 135.64 52.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -127.12 163.43 23.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 44.6 m80 -61.12 143.6 55.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -42.34 -55.8 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.18 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 m -62.02 -45.93 91.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 6.1 t80 -64.46 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 1.2 tt -134.74 139.72 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 47.2 t -51.45 113.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.7 mmt -78.77 10.97 2.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.706 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 38.6 t -107.13 -69.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.5 p -78.05 -27.46 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 87.52 25.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -102.2 125.35 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 1.2 t30 -59.53 148.92 31.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 49' ' ' VAL . 2.1 mt -128.43 164.39 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -116.78 -80.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.502 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER 175.42 94.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 46' ' ' SER . 33.7 p -157.0 -54.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 14.5 t -143.95 47.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 44' ' ' LEU . 8.1 p -100.89 150.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -124.39 164.41 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.38 158.6 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 t60 -153.12 110.4 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.22 -98.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.73 46.38 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -151.97 166.67 30.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -126.14 138.38 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.706 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.7 m-85 -143.33 141.22 30.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LYS . 22.2 p -73.5 137.17 44.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.91 -62.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -33.61 -52.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.3 m -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.551 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.18 -54.2 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.86 -21.82 71.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' CYS . 2.5 mtmt -76.37 -35.31 58.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -73.7 -60.61 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -64.72 -48.37 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.57 98.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 179.67 5.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.94 175.95 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -147.84 -167.63 13.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.11 176.18 3.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.72 177.64 43.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.16 176.51 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.47 155.88 7.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -179.39 170.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.85 163.29 13.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.94 175.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 0.0 109.325 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.05 158.95 29.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.1 p -132.51 177.91 7.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -161.97 176.39 10.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.3 169.39 10.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.3 t -172.33 164.39 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -170.96 166.32 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.19 174.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.64 177.67 47.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.59 170.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.751 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -178.49 151.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.8 168.37 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 165.92 149.24 5.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.5 175.9 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.2 163.01 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -173.53 166.77 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.94 156.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -178.41 165.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.09 156.88 10.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.89 168.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 170.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 174.28 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -171.86 95.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 t -170.42 160.07 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -169.92 131.55 1.0 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.82 5.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -153.58 166.88 31.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.31 173.71 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -177.55 170.38 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.51 168.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.71 173.1 2.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -176.63 169.96 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -176.31 155.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -167.25 167.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.67 172.06 44.73 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 175.96 129.25 1.2 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.5 p 177.83 161.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -164.03 -153.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.44 172.76 21.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.6 t -101.49 107.53 51.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.97 1.19 8.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -70.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.514 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 18.6 p -77.66 -29.45 51.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 108.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.61 22.94 27.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.55 135.98 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.88 152.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -133.24 123.69 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -166.39 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . -110.21 119.78 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.31 132.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.11 54.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -122.18 112.93 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.595 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.6 p -133.06 148.44 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mp -128.52 115.09 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.62 149.96 22.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 49.44 49.03 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.0 36.63 21.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.37 163.77 32.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.435 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 2.1 p -123.96 139.57 53.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.671 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -163.48 174.85 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 39.7 m80 -78.07 121.44 24.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 131' ' ' VAL . 25.2 ttpt -48.12 -23.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -71.6 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.64 -45.19 93.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.4 t80 -46.09 98.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 8.5 ptt85 -140.97 156.13 46.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.3 t -52.33 127.95 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.43 35.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -46.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.04 -21.46 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.46 19.52 64.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.29 118.16 24.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 79.1 p -55.85 140.02 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.43 -173.92 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.15 -49.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t 179.38 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.041 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.0 m -84.71 160.21 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.9 m 62.81 25.43 15.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -116.45 132.9 56.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.51 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -94.79 142.74 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.18 98.82 4.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 78.51 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.64 -77.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -115.99 -27.21 3.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.8 mp0 -77.3 156.92 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.9 pt -133.21 139.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 45.8 m-85 -148.95 -174.39 4.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.7 p -100.94 143.02 31.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -46.16 -40.64 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.47 -30.93 59.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 10.2 m -83.8 -49.06 9.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 3.3 t80 -54.87 -30.88 58.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.18 -63.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 7.0 mmtm -48.34 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.3 t30 -39.67 -30.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -115.02 54.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -100.98 -145.48 17.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.24 156.93 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 177.12 -163.19 31.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -112.65 132.45 55.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.8 -161.29 12.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -135.86 -52.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 108.78 65.68 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -59.27 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -108.1 154.8 16.45 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -145.34 78.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -170.16 74.41 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -78.45 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 3.8 tp -149.03 127.13 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tt -104.97 155.33 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -110.39 138.96 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.72 108.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.7 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.49 0.186 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.98 179.55 5.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -141.88 167.71 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -161.47 162.11 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.056 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.74 19.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.06 -171.95 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 -164.36 33.69 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.29 170.34 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.58 115.2 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 43.1 t -69.91 107.76 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.67 1.07 63.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 30' ' ' PHE . 1.9 t -92.74 -72.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 15.1 p -72.84 -27.22 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 88.16 21.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -102.65 -175.57 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.88 125.85 54.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.541 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 3.3 t -94.47 118.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -97.17 -62.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.73 104.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.52 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 32' ' ' LYS . 6.3 pt-20 -169.1 61.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.02 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 48.1 t -118.35 117.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.7 pp0? -101.93 140.44 36.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.88 134.56 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.1 105.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.39 -56.28 0.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -153.62 171.65 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 90.0 p -135.61 140.27 44.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CD1' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -136.93 166.74 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 69.8 m80 -65.11 140.2 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -40.25 -54.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -44.14 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.19 -45.24 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 7.3 t80 -61.8 88.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -139.39 134.06 31.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.6 t -44.53 112.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.57 6.31 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.686 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 54.4 t -101.73 -72.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.1 p -73.39 -25.04 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.8 tptm 83.34 24.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.49 136.89 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' N ' HD13 ' A' ' 36' ' ' LEU . 9.6 p-10 -45.45 145.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD11 ' CG2' ' A' ' 49' ' ' VAL . 8.5 mt -128.0 156.28 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.4 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -75.54 60.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 48' ' ' THR . 2.3 m -158.47 126.13 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 9.4 t 45.41 38.13 3.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.1 p -110.2 156.01 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . . . -142.54 164.23 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -121.88 157.21 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 177.49 153.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 45.11 55.2 6.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER 39.35 43.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -149.63 173.9 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -114.93 137.54 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.686 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 15.1 m-85 -143.46 141.9 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' LYS . 30.0 p -71.02 146.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -38.13 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 48.1 m -32.73 -69.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' LYS . 38.7 m -41.78 -54.07 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.22 -56.02 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.62 -18.25 67.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -76.0 -50.65 14.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.81 -48.16 75.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.2 m-85 -65.73 -48.55 71.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.57 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 162.03 34.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -175.8 172.7 45.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' GLY . 3.3 tttm -175.15 145.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . . . -164.43 171.19 39.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -168.3 172.18 8.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . -153.49 -177.41 26.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.0 ttp -177.07 163.68 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.0 170.59 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.27 173.15 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.32 144.83 4.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.9 t -167.09 140.93 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mp -136.1 176.3 8.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.4 p -178.4 148.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -171.99 156.49 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -173.11 143.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 167.15 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.85 142.67 4.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.43 154.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.49 141.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.2 145.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.85 135.46 1.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.98 140.44 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -160.02 161.37 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -170.48 148.61 3.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.56 165.46 14.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.98 167.85 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.02 160.12 32.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -148.99 137.61 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 147.9 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.56 173.57 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.37 88.33 0.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -144.34 142.58 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -147.11 132.66 9.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.34 7.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -169.72 120.39 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.0 140.84 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -159.85 150.53 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.84 148.59 28.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtp -118.0 149.13 41.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -154.37 118.87 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -167.0 116.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.71 142.4 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.19 147.89 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.43 158.18 30.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -163.18 94.73 0.12 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 178.68 170.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 109.972 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER -178.26 171.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -95.28 170.17 28.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.4 t -96.91 109.97 51.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.578 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -93.17 -69.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -81.81 -35.21 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.64 -27.4 10.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.09 143.32 48.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.453 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -64.12 157.27 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.566 HG23 ' CD2' ' A' ' 139' ' ' HIS . 57.5 t -131.52 116.04 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 127' ' ' ALA . 20.5 p90 -154.26 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 126' ' ' TYR . . . -85.56 -168.52 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.22 156.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 69.13 54.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.467 ' CG ' HG12 ' A' ' 125' ' ' VAL . 17.2 ttpt -130.87 132.88 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.586 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.3 p -130.23 147.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.3 mt -126.78 115.86 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.34 154.98 25.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 47.83 49.26 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.65 40.47 11.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.56 165.58 29.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.96 138.03 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.676 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.98 172.53 18.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.566 ' CD2' HG23 ' A' ' 125' ' ' VAL . 38.0 m80 -79.4 119.98 23.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -43.77 -27.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -68.38 -55.12 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 144' ' ' ARG . 4.7 m -67.35 -56.95 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.586 ' CD2' HG11 ' A' ' 131' ' ' VAL . 1.1 t80 -34.53 95.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -133.93 148.54 51.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.0 t -54.97 129.08 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -136.12 -47.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.64 -21.47 12.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.16 76.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.36 156.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 p -90.15 133.82 34.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 -175.0 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.3 52.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.14 -57.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 15.0 t -80.42 159.44 25.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.5 m 54.43 32.14 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -114.05 160.74 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.518 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -136.46 124.25 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 3.2 p-10 -104.1 102.04 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.99 90.93 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.9 t70 39.63 64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.37 -50.89 1.62 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.7 mp0 -54.9 156.33 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 143' ' ' PHE . 1.6 pt -133.08 129.71 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 58.8 m-85 -141.74 -174.5 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -99.64 147.53 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -42.32 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.07 -30.76 60.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.3 m -82.2 -47.57 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.518 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.3 t80 -57.11 -31.71 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.75 -64.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 10.3 mmtp -48.63 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.0 t30 -39.04 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' N ' ' C ' ' A' ' 172' ' ' LYS . 76.6 m-85 -118.02 56.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -161.0 -163.71 14.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.65 39.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.99 168.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 174.48 -88.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 53.06 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -87.22 -86.95 1.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.5 t80 53.17 100.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -171.47 79.78 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -125.52 151.84 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -99.72 -160.1 28.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -171.57 107.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -111.71 153.12 17.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.93 -61.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.93 149.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.7 tt -159.21 155.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 64.8 123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.63 116.53 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 154.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.52 -63.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 107.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.9 -126.88 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.77 -173.43 23.6 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA2' ' CD2' ' A' ' 19' ' ' PHE . . . 175.99 -173.94 46.59 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -102.74 177.09 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.707 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' SER . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -39.7 160.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.79 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -104.98 -63.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.71 -161.85 32.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -97.65 176.14 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.85 -140.16 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.43 -147.23 8.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -164.7 169.83 16.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.65 -171.51 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.97 175.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.7 151.16 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -172.53 155.51 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 tp -172.14 147.52 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 t -169.17 143.33 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -172.58 151.98 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 179.56 140.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.89 162.16 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.33 113.98 2.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.19 126.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.3 p -179.44 137.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.412 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.39 150.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.237 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.03 160.85 23.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tt -173.6 154.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -163.7 158.65 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -167.01 168.16 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.76 171.06 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.26 170.64 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.78 163.43 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.14 141.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.8 131.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.04 172.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.18 -164.18 11.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.69 -129.09 2.9 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p 56.98 164.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.576 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CD2' HG13 ' A' ' 131' ' ' VAL . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.478 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.512 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.94 161.16 30.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.3 10.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 172.68 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -139.17 151.54 21.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -75.71 157.75 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -109.52 170.56 14.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -145.07 171.12 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -142.42 -167.6 11.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.96 164.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -116.33 -157.33 11.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.05 122.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -75.01 -128.32 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.52 156.54 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -142.95 176.35 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 2.5 pp -121.0 168.47 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 162.76 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.35 132.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.91 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -95.21 166.43 11.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -129.55 161.71 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.991 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.56 162.93 11.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.29 153.52 8.76 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -145.39 15.35 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 178.67 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.564 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG12 ' CD2' ' A' ' 35' ' ' PHE . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CD2' HG23 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' N ' HD11 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' CE1' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.716 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' LYS . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.405 ' OH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.59 159.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.92 158.81 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.77 -160.33 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -168.9 176.51 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.67 164.93 37.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 176.81 1.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.09 166.36 30.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.5 ttt -178.12 151.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.86 -163.76 10.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.06 175.73 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.76 175.17 43.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -154.46 160.46 41.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.82 174.69 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 t -170.28 153.46 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -163.63 138.94 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -145.47 163.15 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 176.58 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.84 156.5 18.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 179.41 159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -178.31 169.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.7 166.58 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.14 173.46 40.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.9 151.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.06 174.64 11.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -168.66 160.79 10.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.07 171.16 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -153.39 171.36 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.49 175.98 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -138.2 171.16 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -140.86 176.59 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.08 168.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.43 -170.76 14.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -117.56 151.32 18.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p -178.9 166.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.497 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.681 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 170' ' ' TYR . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.492 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -158.0 -145.41 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.64 8.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.72 121.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -91.31 174.93 38.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.51 168.67 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.31 157.36 29.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -110.46 167.72 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 147.56 89.48 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.82 162.2 6.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 172.49 152.5 8.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.21 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 102.85 73.99 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.96 -61.11 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.356 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.9 mp -53.1 157.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.99 145.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -46.0 166.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.594 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 60.6 p -114.11 87.14 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.493 0.187 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 179.76 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.45 144.83 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -179.32 161.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.022 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.98 158.65 8.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.75 163.06 12.21 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.81 154.13 7.84 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -107.09 -179.09 3.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.683 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' LYS . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.24 158.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.99 5.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 170.93 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.89 -169.88 34.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.83 176.69 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.38 39.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.15 172.84 16.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.88 155.68 11.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.12 163.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.46 154.47 13.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.5 166.19 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -157.55 169.52 34.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -154.68 164.34 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.54 162.18 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.97 160.61 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -149.94 159.96 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.34 158.26 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 164.04 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.61 162.49 11.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -171.14 157.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.8 m -159.46 157.69 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.6 162.2 39.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.38 140.41 2.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -172.55 146.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 145.34 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.7 152.99 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -179.62 136.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.25 158.87 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.89 147.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.38 159.33 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 158.22 3.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.87 144.0 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.87 -143.87 15.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.18 100.81 0.93 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p -178.41 170.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.425 ' N ' ' NZ ' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 126' ' ' TYR . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 143' ' ' PHE . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.652 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.574 HD12 ' CD1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.473 ' CG ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 169.82 81.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -87.05 138.73 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.74 -82.72 0.83 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.54 171.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 164.09 147.81 5.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.05 123.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -158.25 94.66 0.14 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.4 110.24 21.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.85 115.9 0.85 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -124.44 -61.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.77 97.42 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -76.02 121.45 22.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.05 103.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.6 tt -78.61 148.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 144.12 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.92 97.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.32 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -134.21 150.16 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -157.45 126.21 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.49 164.19 34.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.91 174.37 40.01 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' HA3' ' CD2' ' A' ' 18' ' ' TYR . . . -90.88 -127.2 3.6 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.1 169.68 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.554 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 23' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.664 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.494 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.57 170.24 2.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.23 40.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 154.04 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.02 -159.93 5.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -161.14 161.62 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.63 -146.09 9.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.98 163.61 32.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 -154.02 22.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.83 163.67 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.97 -144.65 13.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.49 176.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.5 -174.49 13.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -139.39 169.7 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.02 171.03 18.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.4 p -173.03 168.57 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -170.64 145.16 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -145.32 146.06 31.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -174.88 143.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.14 147.81 5.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.37 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t 177.92 145.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tp -177.17 158.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.28 106.37 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.27 157.78 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 131.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -173.52 118.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -177.5 132.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -177.32 146.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -137.61 175.57 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.41 170.98 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 176.39 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -141.53 168.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -109.74 -157.55 17.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.5 158.3 14.39 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p -177.45 142.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.507 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.677 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CD2' HG21 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.498 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.475 HG23 ' CZ2' ' A' ' 138' ' ' TRP . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 172.68 69.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.759 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.53 108.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -95.13 155.98 21.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -175.55 139.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 0.8 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.8 157.44 27.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -175.59 125.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -113.21 -177.74 19.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -160.73 154.45 22.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -150.98 144.75 12.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -163.49 166.11 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.64 167.68 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -166.37 117.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.68 130.15 20.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.98 143.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.62 168.54 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.01 116.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.68 108.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CG ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -179.63 160.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 4' ' ' TRP . . . 128.65 143.64 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.36 147.07 7.08 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 142.3 4.08 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.86 177.91 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG23 ' CD2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.531 HG13 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CD2' HG23 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD2' HG13 ' A' ' 23' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.699 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.421 ' N ' HD12 ' A' ' 36' ' ' LEU . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' O ' ' CG2' ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 47' ' ' THR . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.699 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.86 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -167.18 175.94 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.37 46.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 176.32 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.95 176.8 46.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -176.82 176.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.764 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.91 -178.86 45.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 168.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.45 36.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.37 175.31 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.06 -175.12 28.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -172.33 145.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.405 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.99 174.26 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 p -178.67 168.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -172.26 161.2 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -179.22 167.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 158.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.36 167.19 39.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.3 167.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p 178.84 168.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.46 175.47 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.67 159.63 20.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 pt -137.05 176.48 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.17 158.51 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.3 163.3 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -179.82 158.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -172.97 164.21 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -163.17 174.85 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.58 169.16 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -143.27 175.75 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -172.54 167.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.6 -156.22 6.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.71 155.88 17.52 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -178.18 159.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.577 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.412 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.73 -145.51 12.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 135.7 29.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -168.47 146.64 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -175.71 118.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -97.43 168.21 23.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -52.88 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 102.21 -135.88 12.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -123.51 165.53 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -137.32 177.74 19.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 52.64 175.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.75 -59.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.91 175.0 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.79 79.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 190' ' ' HIS . 42.0 pt -108.53 128.58 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -39.33 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 12.2 p -58.14 124.25 18.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.501 0.191 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 172.52 16.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -154.34 131.45 11.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.78 145.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.97 163.38 11.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.74 163.01 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.74 -105.89 1.82 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 mttt -105.25 -179.6 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -133.77 117.19 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.2 t -78.52 107.31 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.94 7.42 55.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 HG21 ' CG ' ' A' ' 30' ' ' PHE . 2.0 t -98.37 -66.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.2 p -82.14 -23.69 35.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tt0 84.47 28.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 149.62 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' A' ' 31' ' ' HIS . . . -58.09 153.85 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 10' ' ' CYS . 96.9 t -117.67 157.12 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.422 ' N ' HG11 ' A' ' 17' ' ' VAL . 6.8 t80 -164.71 179.9 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.68 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.55 -17.44 62.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' CD ' ' A' ' 32' ' ' LYS . 11.8 pt-20 -56.91 -33.26 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.12 125.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 35' ' ' PHE . 73.3 t -109.82 116.83 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.44 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 7.3 pt20 -100.48 166.53 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.22 159.17 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.33 117.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.15 51.79 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 166.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.44 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 81.1 p 178.65 132.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CG ' HG21 ' A' ' 12' ' ' VAL . 1.2 m-85 -135.9 179.72 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 49.4 m80 -72.18 160.88 31.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' CD ' ' HB2' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -59.76 -46.0 90.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -68.72 -31.68 70.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.28 -52.98 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.344 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -39.47 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -157.73 147.51 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -67.09 114.39 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 7.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.695 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 51.3 t -101.85 -67.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -79.4 -23.33 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER 81.0 24.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -100.69 129.81 46.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' N ' HD12 ' A' ' 36' ' ' LEU . 30.9 m120 -41.11 148.62 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 49' ' ' VAL . 12.5 mt -114.33 143.95 44.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.61 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.4 p -44.68 168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -83.42 67.98 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' LYS . 5.0 t -176.35 48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 35' ' ' PHE . 5.0 p -108.68 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' TYR . . . -165.58 163.88 19.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.7 162.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -147.34 143.6 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.624 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 70.99 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 163.16 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.94 -179.34 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.526 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 3.2 tt -107.63 143.71 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.695 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.8 m-85 -139.93 171.2 14.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' LYS . 7.7 p -107.15 148.64 28.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.29 -66.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 59' ' ' LYS . 35.9 t -30.26 -71.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.6 m -43.18 -55.06 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.284 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.8 t80 -44.65 -55.88 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.14 -18.17 64.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -77.41 -54.27 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.779 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 4.4 m-85 -66.46 -48.83 68.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.92 169.41 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.24 35.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 176.77 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.67 175.66 40.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -155.22 150.59 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.46 145.34 13.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.13 169.07 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.83 -125.27 2.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.62 170.7 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.77 127.52 2.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.02 167.63 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.46 145.3 10.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -171.88 142.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt -163.7 155.02 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 p -141.16 163.44 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.8 t -164.02 147.05 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.76 151.58 29.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.13 153.55 40.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.71 -178.77 17.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.03 171.06 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 p -132.32 156.92 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.061 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.26 144.57 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.64 178.05 17.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.8 pt -145.26 164.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -172.93 167.77 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 49.3 m-85 -164.45 174.2 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.06 164.66 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.65 165.98 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.67 141.1 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -177.61 148.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 146.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -175.64 158.18 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.79 18.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.68 28.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -123.26 169.13 11.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -167.12 99.85 0.64 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -151.72 164.97 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.75 139.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -152.18 155.06 37.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -179.46 145.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.45 151.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -177.1 162.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.24 156.72 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.82 164.83 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.05 167.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.58 -172.95 27.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 128.13 176.88 14.62 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t 63.03 144.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -158.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.43 171.35 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -98.11 108.22 45.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.525 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -3.59 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.88 -42.56 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.59 -24.83 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' C ' HG22 ' A' ' 125' ' ' VAL . . . -100.15 161.45 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.603 HG21 ' CD2' ' A' ' 139' ' ' HIS . 64.3 t -133.33 116.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.482 ' O ' ' CG ' ' A' ' 126' ' ' TYR . 9.7 p90 -160.51 128.94 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 73.29 -155.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.04 134.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.0 61.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -148.95 95.32 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.607 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -90.79 147.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.82 116.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.93 155.67 26.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 164' ' ' ILE . . . 47.42 48.97 16.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.37 41.82 12.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 170.1 18.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 13.1 m -126.69 138.77 53.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.687 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.56 171.45 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.603 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.0 m80 -73.1 128.27 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.405 ' NZ ' HG21 ' A' ' 131' ' ' VAL . 1.4 ttmm -56.2 -17.31 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -51.33 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.6 m -68.73 -58.74 3.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.607 ' CD2' HG12 ' A' ' 131' ' ' VAL . 1.2 t80 -30.32 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.477 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -140.92 147.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.3 t -45.87 126.17 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.35 33.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -133.98 -46.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 16.5 p -110.22 -23.32 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.46 22.38 56.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 111.76 21.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.9 m -53.29 135.35 38.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -106.33 -175.69 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.0 OUTLIER 163.48 -60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.8 p -51.33 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 156' ' ' THR . 14.5 t -174.26 -142.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 155' ' ' THR . 82.6 p 42.65 53.5 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.462 HD23 ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -120.25 131.74 55.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.516 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -95.88 150.06 20.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -130.6 99.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.3 OUTLIER -96.2 89.34 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 4.4 m-20 38.41 79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.51 -47.34 3.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 24.6 mt-10 -59.99 148.33 35.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.579 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -131.88 131.41 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.2 m-85 -141.28 -176.81 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 169' ' ' CYS . 20.3 p -100.77 145.59 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 108.346 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -43.09 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.469 ' O ' ' CD ' ' A' ' 172' ' ' LYS . . . -55.26 -33.01 57.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.4 m -82.03 -48.17 11.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.604 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 3.8 t80 -54.77 -30.23 56.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -84.12 -60.31 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 168' ' ' GLY . 1.4 mptt -47.87 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 1.7 t30 -39.88 -29.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 6.7 m-85 -113.72 55.43 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -134.93 157.33 22.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.16 40.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 -62.82 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 90.31 163.0 38.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -173.93 168.38 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 171.08 120.15 0.53 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.02 167.0 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -174.33 113.83 0.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -176.47 144.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 176.06 163.79 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -174.98 163.47 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 161.21 -167.01 35.99 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -172.25 167.91 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.33 143.19 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 2.6 pp -124.77 146.83 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 147.13 39.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.69 92.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.6 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.569 0.223 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.04 -56.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 174.56 165.68 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -172.85 161.6 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.84 170.68 34.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.33 178.81 47.27 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.82 -177.51 47.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.63 177.3 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 117.13 23.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . 49.0 t -82.02 106.19 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.47 5.24 61.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.24 -67.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 26.9 p -81.45 -25.28 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 85.05 29.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 164.18 15.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.32 147.27 31.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.2 t -122.13 165.95 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 28.3 t80 -95.27 162.39 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 50.8 t80 -83.81 69.42 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . 174.46 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -33.15 75.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -38.95 131.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 t -113.36 119.75 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -106.78 160.36 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -172.41 132.71 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.21 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.41 28.98 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.6 m -137.34 169.09 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.7 p -152.15 127.3 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 2.0 m-85 -139.95 164.11 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 17' ' ' VAL . 78.0 m80 -50.39 160.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -78.76 55.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -173.0 -46.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 56.6 m -53.85 -27.98 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.367 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD1' HD13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -62.94 79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -137.85 132.94 33.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 41.9 t -44.04 114.86 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.83 13.4 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.3 t -111.34 -71.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -76.07 -26.78 56.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tttt 85.86 24.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.02 129.29 46.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD11 ' A' ' 36' ' ' LEU . 27.3 p-10 -60.69 146.42 45.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -118.07 156.15 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 -69.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.08 115.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.67 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 8.9 t -141.27 42.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 50' ' ' ALA . 7.3 p -88.36 146.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' HG22 ' A' ' 49' ' ' VAL . . . -126.72 164.12 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.403 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 4.3 t -121.21 162.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 4.6 t60 -161.82 123.26 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.3 -120.27 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.6 53.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -166.0 162.91 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -124.86 140.51 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.658 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 13.1 m-85 -139.67 147.48 41.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 20.5 p -80.77 139.14 36.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.41 -61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -34.57 -50.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 13.0 m -60.93 -55.77 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -44.24 -49.74 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.49 79.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -73.45 -38.45 65.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -76.8 -64.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.1 -32.3 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.62 161.65 5.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -179.22 4.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 176.77 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.74 -179.26 41.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -173.91 176.75 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.41 -174.93 36.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.23 176.68 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -159.52 -166.97 19.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.7 ttm -179.61 170.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.16 -166.22 14.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.07 175.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.28 -176.3 37.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -172.46 164.32 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.6 172.23 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.3 164.14 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.0 p -133.92 178.6 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -167.15 166.53 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 176.62 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -149.08 -162.52 10.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.85 170.9 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.3 169.68 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -168.87 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.69 179.85 41.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 tt -173.72 171.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -175.63 175.66 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.33 159.16 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.1 170.18 12.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.03 170.97 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.85 -176.39 40.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.93 171.08 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 p -172.69 169.95 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -170.35 174.66 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -166.08 148.81 6.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.43 4.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -169.01 165.6 11.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.42 99.84 0.29 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.3 p30 177.77 155.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.28 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.8 p -179.14 167.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 177.96 152.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -167.45 168.31 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.4 175.83 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 179.15 171.36 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.89 175.07 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.1 p -173.71 156.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.73 -158.51 7.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.97 131.64 1.57 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 t -179.98 139.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.7 -154.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.35 171.5 20.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.5 t -101.35 107.79 52.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.4 Cg_endo -74.99 0.75 8.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 21.3 p -78.3 -32.21 49.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.249 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.79 -22.89 29.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.04 140.37 58.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.67 163.35 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 139' ' ' HIS . 72.4 t -134.61 126.85 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -131.39 179.68 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -57.87 100.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 165.41 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.33 52.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.433 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -107.34 131.58 54.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.19 140.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.419 HD11 ' NZ ' ' A' ' 130' ' ' LYS . 5.3 mp -108.63 115.9 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.17 143.5 11.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 50.65 36.92 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.0 40.73 95.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -148.37 164.87 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.615 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.5 OUTLIER -110.26 143.14 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.661 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.24 168.14 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CD2' HG21 ' A' ' 125' ' ' VAL . 40.4 m80 -70.87 119.55 15.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.0 OUTLIER -64.85 76.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER 156.08 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -90.0 -24.83 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -36.37 101.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 149' ' ' GLY . 6.4 mtm180 -117.65 149.48 40.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.18 129.14 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.295 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.77 34.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 -47.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.4 p -110.67 -18.57 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.444 ' O ' ' CZ ' ' A' ' 144' ' ' ARG . . . 88.14 -5.7 84.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 149' ' ' GLY . 13.6 tttt -46.7 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.56 114.27 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -112.54 169.73 8.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 154' ' ' SER . 0.1 OUTLIER 166.26 47.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 153' ' ' GLU . 3.4 t 163.56 101.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 154' ' ' SER . 20.6 m 36.64 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 152' ' ' LEU . 0.6 OUTLIER 177.94 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.512 HD23 ' CZ ' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -62.64 144.17 56.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -128.88 120.8 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 5.1 p-10 -89.62 98.09 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -109.42 111.32 22.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 50.05 43.27 25.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.58 -37.54 3.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 8.1 mm-40 -59.08 160.78 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.568 HG12 ' CH2' ' A' ' 138' ' ' TRP . 2.5 pt -125.55 131.53 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 38.0 m-85 -142.24 -174.19 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 22.8 p -100.27 147.26 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.34 -43.96 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.21 -33.49 57.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.59 -46.7 16.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -81.7 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.8 mmmt -45.27 -58.24 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.2 m120 -38.36 -44.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 160' ' ' LYS . 2.9 m-85 -135.14 64.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -113.15 -145.87 9.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.71 43.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.01 170.32 20.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -174.63 155.56 21.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.18 160.12 43.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 181' ' ' PHE . . . -149.63 -177.68 23.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 180' ' ' GLY . 16.3 m-85 -169.31 145.97 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.971 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -104.22 -164.69 24.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -161.47 169.01 22.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -164.66 164.98 37.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -177.01 159.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 166.51 100.27 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -155.69 135.95 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.15 96.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -154.1 131.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -128.55 164.25 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.557 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.0 154.53 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 151.83 39.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -179.9 158.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -154.14 151.6 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.33 -171.44 12.19 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.98 176.96 41.23 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.04 149.23 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -113.31 173.79 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -130.83 126.68 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -83.07 108.64 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.68 4.36 60.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.145 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.64 -68.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.4 p -77.8 -23.29 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 82.75 26.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -119.67 147.71 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.9 152.6 44.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.5 t -127.99 158.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -96.37 169.17 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.21 81.86 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.32 -60.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.48 -35.6 53.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 -38.84 124.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG12 ' CD2' ' A' ' 35' ' ' PHE . 69.8 t -116.41 118.21 58.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.5 mt-30 -91.19 143.08 27.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.74 135.96 25.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -39.01 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.31 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -156.5 174.68 15.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 85.9 p -128.29 143.25 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.3 m-85 -138.71 173.03 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CD2' HG22 ' A' ' 17' ' ' VAL . 43.9 m80 -57.51 170.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -57.4 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -29.53 69.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.1 -40.89 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CD2' HG12 ' A' ' 23' ' ' VAL . 1.8 t80 -69.51 72.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 56' ' ' ILE . 1.2 tt -138.62 132.2 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 47.2 t -44.78 113.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -80.06 8.71 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.665 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 53.7 t -102.33 -66.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 19.4 p -81.23 -28.04 34.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.344 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 88.35 27.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 130.3 50.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.466 ' CA ' HD13 ' A' ' 36' ' ' LEU . 5.1 t30 -56.27 143.93 32.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 37' ' ' CYS . 44.2 mt -125.31 131.37 53.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.78 -70.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.5 167.46 21.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.5 OUTLIER 61.04 134.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.1 m 83.76 -43.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 50' ' ' ALA . 1.4 p -61.18 138.92 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -123.18 164.8 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.21 138.86 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -140.73 130.0 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.05 -97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -137.25 52.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -158.76 160.69 36.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.507 ' CD1' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.33 143.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.665 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 50.7 m-85 -147.79 174.56 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.5 p -101.07 140.4 35.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -36.81 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 59' ' ' LYS . 31.5 t -30.09 -70.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 64' ' ' LYS . 36.4 m -41.53 -56.08 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.2 t80 -45.54 -53.98 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -17.88 65.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -78.18 -53.41 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -46.6 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 10.0 m-85 -66.89 -49.59 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.78 84.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.4 42.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.1 149.38 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.04 175.0 23.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.47 147.72 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.0 170.26 35.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -174.48 121.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 141.66 15.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttp -172.97 120.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.52 168.31 22.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.0 138.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.1 175.67 18.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.2 m -142.31 148.58 38.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 tp -127.37 136.87 52.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.0 p -129.64 147.42 51.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.5 p -144.39 150.34 37.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.13 137.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.9 156.77 5.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.42 130.27 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.66 118.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.4 p -128.09 162.87 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.44 147.25 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.36 141.88 5.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tp -138.49 138.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -129.2 170.2 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -159.62 168.19 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.35 157.43 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.84 143.2 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -163.19 135.15 3.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.92 161.41 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.55 168.87 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 99' ' ' ARG . 83.4 t60 -176.92 167.13 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' N ' ' CG ' ' A' ' 98' ' ' HIS . 1.3 ptt180 -172.22 148.86 2.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.93 5.45 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -172.4 136.4 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -161.26 125.03 1.94 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.19 4.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.44 136.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.39 146.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.8 p -179.17 143.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.96 144.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 148.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -147.5 155.7 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 131.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.46 136.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 p -174.57 148.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.14 167.22 27.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.16 101.41 1.43 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.96 148.1 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -154.41 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.37 171.93 22.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 38.2 t -98.38 109.48 52.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -69.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -80.98 -35.17 32.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.5 -27.42 10.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.18 141.06 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.94 161.87 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.557 HG22 ' CD2' ' A' ' 139' ' ' HIS . 94.1 t -135.83 120.39 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.05 -53.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.0 -167.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.39 149.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.34 56.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.21 93.45 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 143' ' ' PHE . 8.9 p -91.83 148.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 38.7 mm -127.94 115.5 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.89 156.12 26.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 45.95 50.79 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.62 43.61 6.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.69 168.46 23.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 132' ' ' ILE . 12.2 t -124.6 138.93 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.686 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -157.25 172.15 19.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 125' ' ' VAL . 37.3 m80 -75.41 125.24 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -53.1 -20.31 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 12.0 p -77.4 -46.58 22.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 143' ' ' PHE . 21.3 m -72.27 -61.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 131' ' ' VAL . 0.7 OUTLIER -32.67 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -134.88 145.84 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 46.6 t -45.93 123.73 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.25 31.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 2.7 tptp -131.15 -45.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.2 p -109.97 -22.05 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.27 19.84 61.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 114.4 25.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 59.8 p -51.01 134.08 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -172.98 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.44 -59.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 t -176.47 147.37 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 156' ' ' THR . 99.2 m 64.11 172.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 155' ' ' THR . 15.1 t 46.94 30.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -112.97 133.36 54.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.519 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -96.99 100.29 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -85.68 97.31 10.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 162' ' ' GLY . 8.9 tptm -89.77 96.54 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.87 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -116.58 -31.16 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -75.37 162.88 28.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 0.804 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.433 HG23 ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -139.82 134.23 37.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.415 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 31.4 m-85 -135.34 -174.32 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 169' ' ' CYS . 19.0 p -98.36 143.45 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 -40.96 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.79 -31.28 57.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.9 m -82.8 -47.58 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.519 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 4.1 t80 -56.29 -30.5 62.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.17 -65.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -48.54 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 29.7 t-20 -39.02 -31.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 172' ' ' LYS . 70.5 m-85 -117.52 56.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -134.73 70.54 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -63.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -163.85 113.67 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.21 136.32 48.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -141.74 163.0 26.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.54 142.77 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -121.72 -174.94 14.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.94 164.38 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -103.82 -65.14 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 61.31 166.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 164.24 -99.62 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 63.58 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -154.95 56.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 51.7 mt 63.64 136.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -132.48 -62.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 1.3 m 44.33 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.533 0.206 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 178.8 6.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -116.55 167.12 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -137.93 157.53 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.96 -151.44 6.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.47 -153.36 5.91 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.87 -162.1 11.46 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -114.85 177.77 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -125.1 114.16 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' SG ' ' HB ' ' A' ' 12' ' ' VAL . 46.4 t -73.06 107.55 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.06 61.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 ' CG ' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.4 p -80.78 -23.94 38.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.253 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 85.06 27.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -118.23 144.87 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 134.55 42.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 31' ' ' HIS . 17.5 t -101.17 146.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -92.55 -57.47 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 178.81 162.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 76.07 -57.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.93 -45.34 92.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.3 120.79 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG13 ' CD2' ' A' ' 35' ' ' PHE . 43.6 t -124.24 117.78 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.82 157.02 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -159.16 83.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 38.72 62.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.37 -50.73 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 m -68.13 173.48 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.036 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 5.6 t -160.84 128.28 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.8 m-85 -141.75 163.8 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 17' ' ' VAL . 69.8 m80 -60.51 144.39 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -47.51 -44.46 25.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -69.03 -35.63 76.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -63.67 -51.93 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -58.83 95.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -146.32 134.61 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 39' ' ' VAL . 48.8 t -50.85 111.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 3.09 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.71 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 47.8 t -97.11 -73.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -72.47 -21.6 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 3.6 ttmt 79.27 22.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -100.29 135.72 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-80 -47.09 145.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . 8.2 mt -126.96 103.16 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -161.07 86.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -176.43 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -174.08 174.18 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.461 HG23 ' CB ' ' A' ' 59' ' ' LYS . 8.9 m 62.66 52.93 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 44' ' ' LEU . 1.5 p -119.03 174.72 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.96 164.76 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.01 171.17 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 54.0 t60 -165.54 102.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.27 -107.62 0.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -113.12 43.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -153.15 160.25 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -125.52 137.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.71 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 16.2 m-85 -140.59 148.5 41.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' LYS . 24.8 p -78.04 149.28 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.45 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 59' ' ' LYS . 46.5 t -31.54 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 31.8 m -41.35 -59.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CD2' ' HE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -43.42 -52.99 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.74 -23.08 66.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -75.61 -46.53 31.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -62.72 -48.36 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HE2' ' CD2' ' A' ' 62' ' ' TYR . 15.0 m-85 -67.03 -47.82 70.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 88.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.88 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.58 -167.14 25.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -172.98 172.09 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.05 153.24 8.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.45 176.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.96 157.49 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -173.92 170.7 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.64 170.61 40.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.0 175.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.26 146.97 6.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -137.72 150.76 47.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.44 176.56 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.5 t -175.41 144.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -149.31 153.87 38.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.36 164.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -166.39 166.76 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.7 -168.92 14.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.43 167.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.0 p -179.31 159.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.3 176.76 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.55 147.13 4.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -173.34 147.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -147.54 166.06 28.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -165.86 158.91 15.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -178.62 164.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 179.29 168.61 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.28 172.05 44.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 165.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -178.0 170.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -175.61 174.42 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.571 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.42 94.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.93 5.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -138.82 178.02 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -143.52 132.68 11.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.06 6.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -139.75 166.45 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.78 174.87 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.57 169.49 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.64 167.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.0 ptp -170.82 167.17 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.47 164.89 3.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.93 167.88 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -175.96 164.43 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.26 150.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.33 -146.7 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.82 75.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p -177.04 168.21 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.42 -158.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.38 171.5 21.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 139' ' ' HIS . 49.1 t -101.8 106.46 47.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.581 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -1.0 10.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.774 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -88.14 -65.77 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.465 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.6 p -84.87 -39.83 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.56 -27.58 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.53 145.87 47.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.41 163.2 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 139' ' ' HIS . 97.7 t -133.54 124.05 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 7.0 p90 -127.54 -51.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -169.32 -173.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 77.34 -56.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -134.28 44.53 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.467 ' CD ' HD13 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -90.65 153.03 20.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 138' ' ' TRP . 5.1 p -146.29 145.85 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.467 HD13 ' CD ' ' A' ' 130' ' ' LYS . 5.3 mp -128.82 115.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.95 151.94 23.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 48.99 53.96 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.22 39.46 1.58 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 162.33 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 0.735 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.586 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 31.0 t -116.08 149.98 38.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.644 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -166.24 -176.21 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 118' ' ' CYS . 40.3 m80 -81.48 143.5 32.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -80.87 44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 t -150.99 -46.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.95 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.85 -36.99 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 164' ' ' ILE . 0.8 OUTLIER -46.71 98.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 3.5 ptt180 -141.63 155.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 36.2 t -51.42 126.97 18.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.42 34.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -134.81 -46.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.04 -21.69 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.85 61.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -76.99 122.67 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -65.95 127.44 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.95 -172.51 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.82 -57.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.3 t 176.76 57.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.9 p -116.93 -76.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 167' ' ' LYS . 11.5 m -153.88 74.64 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -98.82 145.58 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.524 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -103.73 153.71 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 1.6 p-10 -129.45 97.67 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.32 98.31 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.7 OUTLIER 38.51 69.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.74 -49.51 4.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 37.0 mm-40 -52.47 149.69 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.574 HD13 ' CD1' ' A' ' 143' ' ' PHE . 3.4 pt -129.44 130.0 67.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.5 m-85 -139.02 -174.92 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.9 p -100.56 147.99 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 8.9 tttm -46.0 -42.83 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.44 -30.71 62.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -81.68 -48.04 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.9 t80 -57.18 -32.38 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.84 -61.03 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 9.7 mmtt -47.18 -60.98 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 5.2 m-80 -39.31 -39.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -124.62 61.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -175.91 70.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.34 65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 179' ' ' PHE . . . 170.76 -150.89 14.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 178' ' ' GLY . 0.2 OUTLIER -175.89 172.38 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.947 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -130.12 -172.01 13.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.56 171.86 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 172.49 130.08 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.37 141.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -168.8 -125.85 0.81 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 63.29 158.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.83 169.01 31.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -174.06 133.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.12 172.62 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -171.72 121.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -167.28 148.84 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 89.9 p -71.01 137.84 49.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.245 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.543 0.211 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.96 176.89 9.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.96 165.5 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -122.6 160.15 26.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.17 -143.63 4.01 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.09 -153.66 6.09 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.19 -163.01 20.29 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -97.31 177.91 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 116.57 21.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.2 t -78.62 106.32 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.68 5.24 61.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 30' ' ' PHE . 1.7 t -94.29 -66.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.4 p -81.88 -24.25 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 84.87 28.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -111.2 179.0 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.07 140.03 31.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.533 HG23 ' CD2' ' A' ' 31' ' ' HIS . 24.9 t -111.96 158.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -125.39 -63.04 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.52 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -40.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.63 47.0 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 116.66 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.78 118.6 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.21 144.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.15 134.42 21.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -38.91 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.68 -56.37 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 t -151.09 171.17 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -137.53 133.16 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.5 m-85 -131.76 173.12 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 69.5 m80 -64.26 162.22 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 7.79 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 51.7 m -112.49 29.16 8.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CE1' ' CG2' ' A' ' 49' ' ' VAL . 3.9 t80 -133.93 79.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -141.73 134.38 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.0 t -47.72 114.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.449 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.13 11.76 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.665 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 34.6 t -108.12 -69.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -78.46 -25.53 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.43 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -98.78 128.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -59.96 143.69 51.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 37' ' ' CYS . 9.2 mt -125.16 145.85 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -107.59 -66.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.17 95.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 ' CG2' HG21 ' A' ' 48' ' ' THR . 4.2 m -158.01 -62.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 ' CG2' ' A' ' 47' ' ' THR . 71.1 p -127.31 4.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 50' ' ' ALA . 2.0 p -59.76 143.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 49' ' ' VAL . . . -127.86 166.07 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.79 140.28 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.8 t-160 -150.61 130.74 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.05 -99.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.73 51.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.3 OUTLIER -165.07 160.85 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -108.16 141.72 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.665 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 19.3 m-85 -145.14 126.34 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 31.8 p -55.65 150.83 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.04 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' LYS . 1.1 t -34.03 -67.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' SER . 24.5 m -40.8 -53.12 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.9 t80 -49.71 -55.81 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.95 -16.06 56.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -54.31 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -51.31 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 22.8 m-85 -64.75 -46.58 81.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.59 98.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.83 5.7 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.32 173.68 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.39 -176.94 45.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 176.47 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.85 179.24 40.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -177.14 176.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.36 172.23 45.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.48 170.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.28 173.07 42.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.91 176.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.16 172.45 45.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -172.45 159.62 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 0.722 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -146.75 176.6 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 t 179.05 155.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -137.23 178.38 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 176.97 167.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.33 176.72 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.87 -169.58 28.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.18 171.03 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.761 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.3 p -179.84 162.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 tt -173.72 158.28 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.84 136.65 2.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 tt -173.87 152.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -173.48 167.91 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -174.22 172.75 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.79 169.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.43 171.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.33 166.42 30.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.25 168.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.11 154.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -178.6 166.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 86.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.9 17.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -137.43 178.65 6.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.5 99.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.71 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -170.38 160.99 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.94 169.56 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 167.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 8.8 ttm105 176.66 165.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.9 ttt -178.56 156.81 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.28 170.96 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.78 171.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.52 176.71 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.66 176.0 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.84 175.32 36.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.86 146.03 4.25 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.3 p -175.4 169.01 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD2' ' OG ' ' A' ' 137' ' ' SER . 3.6 m-20 -151.11 -153.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -139.97 171.97 23.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.3 t -101.89 106.64 48.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.594 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.06 -0.73 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -68.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.5 p -79.56 -34.3 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.262 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 22.54 13.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.4 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -40.61 157.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 139' ' ' HIS . 45.0 t -133.34 121.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -168.55 143.07 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 62.23 -152.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.49 135.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 78.1 62.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.489 ' CG ' ' CG1' ' A' ' 125' ' ' VAL . 1.9 ttpp -136.32 134.02 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 143' ' ' PHE . 10.0 p -133.97 144.92 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.441 HD12 ' CE ' ' A' ' 130' ' ' LYS . 4.9 mp -124.54 117.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.54 147.54 17.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 46.46 58.05 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 38.39 40.95 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.63 159.44 43.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.544 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.9 m -115.23 143.55 45.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.684 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -157.51 179.52 9.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 108.004 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.573 ' CD2' HG23 ' A' ' 125' ' ' VAL . 36.3 m80 -81.4 131.95 35.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.41 61.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.66 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.14 -42.36 76.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.591 ' CD2' HG12 ' A' ' 131' ' ' VAL . 0.1 OUTLIER -32.1 102.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.4 146.48 38.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 38.1 t -47.99 126.54 10.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.81 34.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -135.32 -46.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.9 -20.87 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.4 71.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -78.98 132.15 36.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 141.81 57.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -163.64 177.41 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.71 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 76.84 -56.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -48.43 105.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.459 ' HB ' ' CB ' ' A' ' 167' ' ' LYS . 71.2 p 42.24 55.54 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -104.47 119.23 38.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.469 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -83.6 147.62 27.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.428 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 8.4 p-10 -129.25 102.77 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.5 OUTLIER -95.35 88.1 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.1 m-20 38.81 71.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.3 -50.05 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.1 mp0 -59.05 155.01 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.572 HG23 ' CZ2' ' A' ' 138' ' ' TRP . 1.1 pp -132.01 139.56 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -150.17 -176.85 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' CYS . 29.8 p -95.06 141.46 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.68 -39.61 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.79 64.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 166' ' ' CYS . 9.1 m -80.2 -48.79 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.469 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 3.0 t80 -55.2 -30.73 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.85 -64.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.7 OUTLIER -48.4 -68.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 22.1 t-20 -39.37 -30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -116.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -110.85 157.3 15.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.19 17.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -148.13 143.37 27.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -159.57 151.04 21.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.35 166.49 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -161.53 160.73 32.55 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -167.79 103.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 152.88 114.06 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -156.1 130.01 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 137.01 92.29 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -143.22 146.64 33.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.784 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -151.08 -165.07 12.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 58.54 176.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 5.3 tt 67.02 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.3 tt -126.23 -52.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -114.76 66.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.35 81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.542 0.211 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.01 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.3 p30 178.76 161.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -99.58 162.28 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.03 -166.51 17.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.83 -141.87 3.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -52.79 -53.14 34.55 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 88.5 170.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 0.722 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 131.16 44.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.7 t -85.94 109.67 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.97 7.59 54.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG21 ' CD1' ' A' ' 30' ' ' PHE . 3.3 t -100.77 -66.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -80.08 -26.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 11.0 tt0 86.7 28.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.68 148.24 44.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.62 143.81 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.547 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 9.1 t -122.08 146.86 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -142.28 -47.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -45.85 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 -15.95 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.42 -28.03 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 2.6 tm-20 -40.26 143.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.549 HG13 ' CD2' ' A' ' 35' ' ' PHE . 74.7 t -131.86 127.95 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -77.29 174.52 10.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -162.82 74.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 35.98 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.49 -45.85 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -85.42 179.35 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.948 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 41.0 t -169.05 126.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -134.83 167.67 20.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 45.1 m80 -59.01 161.59 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -53.9 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -29.19 66.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.13 -45.03 91.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 23' ' ' VAL . 1.4 t80 -67.73 75.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -137.41 133.21 34.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.9 t -46.39 111.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.61 7.6 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.654 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 51.9 t -101.57 -67.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 14.4 p -79.77 -24.41 41.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.63 24.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.33 127.56 53.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.47 ' CA ' HD13 ' A' ' 36' ' ' LEU . 14.2 p30 -50.0 144.9 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD22 ' CB ' ' A' ' 58' ' ' CYS . 28.6 mt -118.53 107.02 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.36 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 89.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -164.34 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t 41.85 50.63 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.7 p -84.88 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -125.71 164.81 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.94 167.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -160.03 102.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.59 -104.07 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.31 42.78 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 6.8 mm-40 -147.82 151.63 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -116.02 139.47 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -147.85 167.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' CB ' HD22 ' A' ' 44' ' ' LEU . 4.4 p -104.02 143.74 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 60' ' ' SER . 17.8 tptm -38.16 -61.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -29.71 -72.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' LYS . 83.2 m -44.79 -57.01 4.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -40.82 -65.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.67 -18.21 44.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -73.99 -55.65 5.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -68.4 -54.58 16.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -60.99 -39.4 89.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.56 98.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.62 5.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -117.11 159.05 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.91 -164.5 40.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 175.62 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -139.28 -158.54 7.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -163.58 176.75 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.79 -157.21 7.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttm -165.12 170.61 14.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -156.09 -171.93 22.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.2 175.95 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.54 174.94 45.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -168.15 161.62 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -173.12 155.61 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 p -178.0 160.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -172.22 164.57 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 178.17 164.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.0 149.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.24 155.22 17.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.79 145.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.14 143.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.97 159.9 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.16 137.64 3.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 tp -173.9 145.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -174.37 170.4 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -155.35 174.03 15.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.33 171.22 10.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -178.27 153.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -174.14 148.39 9.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -177.09 137.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 p 178.08 136.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -178.61 157.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -177.9 85.58 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.88 11.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -153.43 122.7 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.1 t30 178.22 99.86 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.17 4.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.73 152.41 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.92 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t -177.38 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.86 132.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 155.85 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.55 132.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 122.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.32 140.22 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.2 151.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.69 163.34 10.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 142.38 75.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 p 177.84 147.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 137' ' ' SER . 0.6 OUTLIER -161.48 -153.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.25 21.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.0 t -101.53 107.3 50.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.605 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.0 -1.15 10.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -69.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 26.8 p -79.59 -34.64 40.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.254 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.48 -29.22 8.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.28 139.86 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.509 ' HB1' ' CE2' ' A' ' 126' ' ' TYR . . . -52.91 167.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 139' ' ' HIS . 48.5 t -134.49 117.47 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.509 ' CE2' ' HB1' ' A' ' 124' ' ' ALA . 21.7 m-85 -141.35 -169.4 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -51.82 104.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 166.83 -61.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 47.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 22.7 tttt -88.06 139.3 30.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 143' ' ' PHE . 8.7 p -133.77 151.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.94 116.33 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.39 147.98 18.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 46.47 52.26 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.84 42.69 6.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.23 170.01 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 3.1 t -116.4 135.43 53.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.67 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -148.9 176.33 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.586 ' CD2' HG21 ' A' ' 125' ' ' VAL . 23.1 m80 -79.21 129.31 34.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.2 OUTLIER -66.37 71.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER 166.62 -46.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 143' ' ' PHE . 76.6 m -59.93 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 108.278 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -29.14 114.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.64 146.77 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 42.5 t -71.05 127.2 31.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.31 33.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -134.49 -46.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.24 -20.4 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.12 63.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -62.48 142.73 57.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.6 m -65.11 155.77 33.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -114.21 -174.7 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.2 tm-20 86.21 53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 m -152.14 -53.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 156' ' ' THR . 37.4 p -105.55 -63.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.432 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 1.0 OUTLIER -176.55 129.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -95.9 119.87 35.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.516 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -87.49 150.86 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -131.83 106.17 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -100.21 94.09 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.2 m-20 38.55 73.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.82 -49.38 3.82 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.5 mm-40 -56.45 153.91 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 pt -132.79 131.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 51.6 m-85 -141.96 -178.17 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -94.59 147.09 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.432 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 10.3 tttt -46.84 -40.98 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.42 -30.14 64.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.2 m -80.76 -47.13 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 1.7 t80 -59.19 -32.79 70.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.26 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.7 mmtm -47.08 -60.9 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 172' ' ' LYS . 12.3 m-20 -39.17 -39.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.3 m-85 -123.8 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -141.15 69.15 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.42 6.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.32 63.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -179.56 -116.99 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -146.75 144.24 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -138.75 152.73 22.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.7 161.89 38.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 133.06 116.87 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.35 169.06 25.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -140.98 -159.81 8.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -146.41 166.96 24.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -128.37 138.06 10.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -118.78 155.69 30.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.34 80.55 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.31 136.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -89.39 109.07 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.63 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 43.6 p -53.92 108.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.999 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.473 0.178 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -134.64 162.82 31.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.68 161.14 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.95 -147.88 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.57 -151.0 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . 37.85 -114.99 0.33 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 89.12 170.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -59.47 133.07 55.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.2 t -90.67 111.74 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.25 11.36 37.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.4 t -106.23 -65.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -82.85 -28.09 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.2 tt0 88.95 27.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -123.95 151.23 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.52 150.37 49.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.624 ' CG2' ' CE1' ' A' ' 31' ' ' HIS . 16.3 t -126.54 162.59 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -113.3 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 37.7 p90 -93.11 96.43 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 19' ' ' PHE . . . 166.73 -58.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.14 -23.97 32.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -38.32 133.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 44.9 t -128.08 117.71 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.58 165.63 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -163.98 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 108.286 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER 36.88 81.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.77 -47.12 3.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.3 175.9 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 60.6 p -167.68 127.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.2 OUTLIER -135.86 173.39 11.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.624 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 37.4 m80 -51.72 -176.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.647 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -81.92 -58.66 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.44 -40.23 74.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 3.3 t80 -70.09 68.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.84 130.53 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 49.5 t -43.46 113.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.38 8.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -102.02 -67.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 16.0 p -79.76 -23.47 42.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 82.29 25.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.74 136.23 48.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -45.03 145.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 37' ' ' CYS . 2.4 mt -114.01 142.68 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -176.16 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 47' ' ' THR . 4.2 m -93.63 92.84 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 46' ' ' SER . 36.6 p -155.91 -65.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 10.0 t -141.5 40.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 50' ' ' ALA . 7.6 p -85.29 145.69 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.656 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -128.54 163.8 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.24 161.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -155.34 116.89 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.96 -100.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.82 48.72 2.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -153.19 158.2 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -115.39 138.28 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 21.7 m-85 -143.66 157.81 44.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 16.2 p -96.06 131.52 42.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.34 -57.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.2 m -38.49 -41.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.1 m -70.28 -56.45 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 108.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.656 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 2.2 m-85 -42.26 -48.35 4.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.55 -33.88 60.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -36.96 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -74.38 -57.54 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 20.6 m-85 -58.02 -18.8 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.64 157.27 34.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 179.53 6.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 176.61 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.68 -174.93 21.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -157.11 176.64 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.62 -162.09 9.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -158.72 176.4 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 0.793 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.65 165.93 34.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.02 170.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 132.07 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.88 162.74 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.12 128.91 2.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -148.32 123.52 10.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.36 156.6 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -177.11 151.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -146.86 139.81 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -165.71 149.26 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 174.46 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.88 164.12 17.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -177.14 155.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -155.39 168.66 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt -115.15 162.36 17.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.94 -155.23 5.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 tt -162.06 157.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -142.05 149.33 39.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.97 168.9 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.73 159.9 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.53 137.0 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.68 131.38 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 t -176.72 124.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.19 157.31 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -145.58 85.98 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 120.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -76.26 124.6 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -110.27 99.85 41.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.43 39.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 177.58 150.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.39 170.58 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.17 167.31 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.28 157.91 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 ttm -164.37 120.07 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -164.06 121.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -138.21 96.96 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 82.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 67.2 t -136.08 135.07 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.02 -168.73 12.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.37 155.52 2.0 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.14 -59.29 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.65 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 3.9 p-10 -153.26 -163.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.65 ' N ' ' HD2' ' A' ' 116' ' ' ASP . . . -134.01 171.9 21.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.9 t -98.39 109.25 51.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.07 -32.21 50.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.95 -25.45 22.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 140.54 57.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.96 162.07 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.578 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -136.14 122.7 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.84 -62.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -161.3 -166.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 74.88 -58.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.3 tp10 -132.51 43.57 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.438 ' HD3' ' CD1' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -96.54 131.64 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.4 p -129.51 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.438 ' CD1' ' HD3' ' A' ' 130' ' ' LYS . 4.1 mp -125.79 115.8 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.05 154.54 25.74 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 47.65 48.47 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 0.803 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.87 21.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 168.37 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 22.9 m -124.04 146.87 48.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.67 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -165.56 173.99 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 108.002 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.578 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -74.51 129.19 37.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -58.01 -16.3 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -81.88 -52.24 7.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.1 m -69.27 -59.29 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.6 t80 -34.08 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.467 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 5.1 ptp180 -141.47 146.1 36.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.2 t -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.93 33.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' A' ' 173' ' ' ASN . 3.3 mttt -134.37 -46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.17 -19.82 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.08 19.38 67.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.86 119.74 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.467 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 12.6 p -59.74 134.07 56.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.91 -175.38 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.74 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 174.62 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.6 m -75.78 56.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 13.6 t -132.63 25.4 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -97.69 171.54 8.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 170' ' ' TYR . . . -138.32 111.79 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 2.6 p30 -90.89 100.04 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.91 97.58 8.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 160' ' ' LYS . 75.0 m-20 39.94 65.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.18 -48.88 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.2 mm-40 -55.37 159.86 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 10.1 pt -136.09 136.96 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 48.8 m-85 -147.94 -174.97 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.4 p -98.95 149.75 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 7.0 ptmt -46.69 -42.75 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -58.45 -29.51 63.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -81.78 -48.13 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.586 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -33.08 68.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.98 -60.08 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.77 -61.07 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 4.7 m-80 -39.02 -38.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 0.9 OUTLIER -124.69 61.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -91.21 174.25 38.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.23 27.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -134.17 131.7 38.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -153.55 140.58 7.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -148.99 145.78 27.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 137.82 108.53 0.85 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -167.97 165.28 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 99.48 76.01 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -153.46 148.08 26.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -130.76 -139.2 4.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -170.56 161.48 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -156.21 109.58 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . 0.479 ' CB ' ' CE1' ' A' ' 190' ' ' HIS . . . -101.78 174.86 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.23 159.78 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 42.27 60.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.479 ' CE1' ' CB ' ' A' ' 187' ' ' ALA . 7.8 m80 -67.56 113.08 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.21 -58.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.926 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.27 4.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -62.87 167.22 4.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.65 161.25 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.36 171.12 36.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.1 -158.76 9.5 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.57 -150.21 5.14 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -137.3 120.97 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 114.48 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.1 t -69.81 107.06 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.91 7.03 60.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.8 t -96.93 -64.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.3 p -84.34 -24.49 29.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 86.21 28.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.0 143.54 50.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.547 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 10.0 t -116.02 149.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -161.83 104.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 17.9 m-85 52.68 -171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 19' ' ' PHE . . . 83.18 -62.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -137.63 -80.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 50.43 97.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 t -100.89 140.79 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 31.6 tt0 -124.68 156.51 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.1 p -164.32 129.7 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 51.28 -100.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.03 40.53 1.66 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -152.1 170.77 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.523 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 4.8 t -159.85 136.61 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 67.5 m80 -62.56 140.07 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.532 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -56.24 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.2 m -52.97 -43.07 66.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' HIS . 86.5 m -61.07 -45.14 95.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 13.4 t80 -67.04 81.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -128.14 133.02 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.1 t -46.56 111.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 3.64 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.682 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 55.0 t -98.15 -73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.1 p -71.9 -22.73 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 81.02 23.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -103.43 135.25 45.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.416 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -48.18 144.44 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 58' ' ' CYS . 8.8 mt -116.85 127.79 54.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -168.41 69.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.25 173.4 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -92.46 48.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' CB ' ' A' ' 59' ' ' LYS . 3.3 m -159.41 54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 44' ' ' LEU . 1.1 p -118.66 176.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 62' ' ' TYR . . . -159.58 165.27 33.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.37 149.27 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 23.8 t-80 -175.69 155.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.76 52.94 7.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 40.63 45.57 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -114.17 136.42 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.682 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.4 m-85 -142.69 143.42 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 23.6 p -74.59 139.2 43.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CB ' HG23 ' A' ' 48' ' ' THR . 2.1 ttmt -38.14 -64.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -34.77 -50.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 m -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 t80 -45.56 -53.13 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.02 -23.07 76.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -54.88 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -64.82 -48.33 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 5.1 m-85 -60.55 -37.53 81.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.55 98.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 176.77 9.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpm? -150.05 147.82 28.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -136.32 -179.57 16.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.5 173.97 8.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.19 174.06 40.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.21 166.47 26.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -178.92 159.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.99 130.76 1.47 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -167.9 159.41 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.2 146.62 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -162.3 146.89 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -157.86 142.58 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 p -177.24 138.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -172.51 148.53 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 178.76 140.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -175.77 148.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.93 111.38 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.83 152.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.04 84.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.59 130.17 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.23 129.24 1.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 tp -161.69 144.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.37 155.58 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -134.44 157.42 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -151.31 150.81 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.77 160.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.49 123.38 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -156.78 163.85 38.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -143.93 159.93 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -147.69 168.23 22.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -151.38 94.84 3.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.97 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -113.77 150.03 34.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 14.3 t-20 -128.14 127.86 23.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.2 Cg_endo -75.0 165.28 31.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -111.87 152.41 28.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.93 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -146.86 162.53 38.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -148.27 156.62 42.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 161.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -99.78 148.8 24.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -102.55 130.61 49.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -74.52 173.04 10.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.67 150.51 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -107.61 93.53 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.08 134.86 12.58 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.9 m -82.95 -58.4 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.746 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -162.59 -156.37 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.61 170.69 20.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.96 108.58 54.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.0 0.62 8.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -71.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.4 p -75.96 -27.99 57.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -21.86 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.35 141.97 56.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.03 162.79 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 139' ' ' HIS . 59.4 t -133.43 116.82 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -95.92 177.52 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.12 -66.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.43 134.55 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 74.23 60.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -143.92 141.24 30.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 143' ' ' PHE . 9.2 p -133.2 147.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.37 116.87 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.53 142.88 10.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 50.78 45.79 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.32 37.46 47.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 157.18 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -115.34 136.83 52.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.672 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.57 173.29 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.574 ' CD2' HG21 ' A' ' 125' ' ' VAL . 40.6 m80 -70.08 128.46 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 7.9 tttp -67.31 71.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.9 t 167.28 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.9 p -60.62 -30.52 69.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -34.21 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 142' ' ' CYS . 8.4 mtt180 -104.05 157.78 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.8 t -76.6 125.97 30.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.98 33.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.84 -45.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.9 p -110.21 -20.92 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.85 18.13 68.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -80.14 176.76 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.2 p -95.33 147.9 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.4 OUTLIER -131.75 -175.98 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -153.48 36.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 157' ' ' LEU . 5.6 t 73.71 -58.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.048 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.2 m -49.7 -57.17 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.0 t -90.09 35.05 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -109.18 140.86 42.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.506 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -121.4 115.63 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -96.03 94.35 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 170' ' ' TYR . 0.0 OUTLIER -130.17 142.28 50.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 47.0 61.92 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.2 34.25 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 6.6 mt-10 -133.79 156.78 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.566 HG22 ' CZ2' ' A' ' 138' ' ' TRP . 1.3 pt -115.09 130.67 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 33.7 m-85 -135.48 -176.61 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -98.48 144.75 27.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -45.69 -41.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.13 -31.84 59.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 5.3 m -81.57 -46.85 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 160' ' ' LYS . 4.2 t80 -56.15 -31.12 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.55 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.9 mmmt -47.57 -67.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 1.6 t30 -38.56 -34.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 171' ' ' ALA . 76.2 m-85 -117.35 58.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.61 25.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 155.64 42.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -104.0 171.19 7.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -121.64 151.86 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -87.79 -52.8 5.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 140.15 -176.43 21.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.86 169.98 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 165.48 175.3 35.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -32.52 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 93.63 86.07 1.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -159.94 75.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -116.66 146.83 18.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 64.18 121.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.4 tt -166.94 117.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 190' ' ' HIS . 4.2 mp -83.24 137.46 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.402 ' N ' HG22 ' A' ' 189' ' ' ILE . 1.8 t-160 68.93 126.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 10.1 t -71.25 -58.5 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 -179.991 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.526 0.203 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.05 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -161.65 152.09 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -127.42 157.14 40.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 107.964 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.3 153.49 8.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.72 -154.84 12.32 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -52.82 -48.54 56.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER 87.75 171.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.8 t -87.65 109.97 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.95 7.55 54.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.3 t -100.83 -66.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.6 p -80.95 -26.61 36.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 87.17 28.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 151.55 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 152.8 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 24.5 t -126.51 148.66 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.45 -175.76 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 13.8 p90 -79.51 48.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.65 -56.51 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.72 55.17 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -91.76 146.16 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 85.9 t -134.41 116.94 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 8.7 tt0 -95.67 145.96 24.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -142.11 137.16 30.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -40.58 105.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -54.89 0.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 m -153.39 169.62 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -121.1 129.2 53.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.96 164.86 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 17' ' ' VAL . 42.6 m80 -54.55 175.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.8 tttt -68.66 -60.11 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -61.75 -33.69 74.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -55.27 -37.48 67.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 4.7 t80 -68.64 69.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -133.47 133.25 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 48.5 t -45.05 114.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.42 9.44 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.68 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 44.1 t -105.33 -68.48 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -78.84 -20.55 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.5 mttt 80.02 21.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 131.48 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.0 m-80 -50.15 149.26 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 17.5 mt -125.75 146.68 49.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER 155.88 95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.18 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 48' ' ' THR . 4.4 t -165.53 86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER 165.19 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 -179.943 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG2' ' CE1' ' A' ' 35' ' ' PHE . 4.4 p -49.94 145.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 49' ' ' VAL . . . -133.39 165.56 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -118.9 142.4 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 6.5 t60 -153.06 132.93 13.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.93 -104.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -131.71 50.67 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -164.94 160.8 19.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -107.57 141.27 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.68 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 18.2 m-85 -144.44 130.73 19.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 23.0 p -66.7 141.29 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 108.267 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' CB ' HG21 ' A' ' 48' ' ' THR . 4.2 tttp -38.56 -63.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' LYS . 12.5 t -34.42 -52.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LYS . 12.9 m -58.63 -59.78 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -41.29 -59.04 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.33 -23.5 66.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -72.41 -37.65 68.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -61.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 37.9 m-85 -58.56 -33.67 70.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.85 172.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.85 30.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.43 1.753 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.92 175.49 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.47 -130.09 6.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.48 170.76 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.8 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.8 -158.59 9.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -158.47 148.07 19.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.77 139.44 10.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.8 146.94 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.17 170.0 33.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.92 167.92 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.25 113.06 0.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 m -148.31 137.91 22.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.75 167.72 16.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 p -175.52 121.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -171.53 138.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -171.66 110.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.96 144.43 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.74 126.51 0.85 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -168.22 162.39 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -174.98 138.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -174.31 155.32 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.88 109.46 0.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.7 tt -170.81 126.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -130.63 156.71 44.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.65 170.06 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.91 152.89 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.05 141.59 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.23 119.93 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -150.19 157.19 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 p -141.98 170.43 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -164.65 169.17 17.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.633 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -163.5 95.02 1.07 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.06 11.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 t -125.26 149.2 48.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -82.42 114.4 51.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.0 17.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -149.84 150.03 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.71 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -140.25 170.2 16.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.96 163.76 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -170.57 133.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.22 171.48 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -161.47 135.45 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER -129.52 142.15 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.15 134.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.29 170.11 13.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.02 144.49 8.92 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.0 p -65.69 160.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.969 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -156.25 -153.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.03 172.01 23.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.493 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.7 t -100.67 107.92 51.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.99 0.6 8.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -70.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 16.8 p -77.29 -30.86 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.3 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -109.97 134.58 51.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.44 155.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.563 HG22 ' CD2' ' A' ' 139' ' ' HIS . 69.7 t -134.05 120.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -161.61 -53.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.61 -167.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.34 144.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.58 57.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -125.99 96.96 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 143' ' ' PHE . 6.1 p -97.56 153.97 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.1 mp -135.28 115.55 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.66 153.79 25.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.48 49.85 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.4 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -147.02 169.01 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.61 137.74 51.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.659 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -155.15 172.1 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.9 m80 -77.24 119.34 20.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.545 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -43.94 -27.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 139' ' ' HIS . 32.8 t -70.33 -51.99 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 144' ' ' ARG . 11.0 m -69.05 -59.69 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 2.0 t80 -36.14 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -136.44 143.9 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 144' ' ' ARG . 39.3 t -41.93 127.65 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.257 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.22 33.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -134.44 -46.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.93 -17.25 13.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.84 15.53 81.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -82.42 118.55 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 84.6 p -55.06 137.05 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -175.03 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.451 ' HG3' ' CE ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -179.58 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.1 m -58.39 174.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.0 m -80.06 52.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 68.7 p -128.98 35.12 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 159' ' ' ASP . 0.2 OUTLIER -97.18 166.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.521 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -130.28 101.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.4 p-10 -90.29 99.04 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' GLY . 5.3 ttmt -82.38 78.49 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.8 t70 65.74 -69.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -123.62 -30.76 1.03 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.6 mt-10 -76.61 165.18 25.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.655 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 7.5 pt -136.8 139.27 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.7 m-85 -150.66 -173.9 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -98.89 144.7 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -40.09 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 172' ' ' LYS . . . -59.16 -28.49 64.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.127 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.0 m -83.09 -48.46 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -32.94 68.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.73 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 168' ' ' GLY . 37.5 mttt -47.24 -62.43 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 57.2 t-20 -39.56 -37.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.2 m-85 -120.51 58.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.12 171.64 16.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 90.53 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -174.89 140.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 109.19 109.85 3.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -171.03 110.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.15 132.38 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -163.64 163.54 24.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 158.38 112.14 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.5 165.28 8.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 167.6 121.41 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -141.99 160.64 39.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -138.69 156.93 24.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -173.1 153.33 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.37 75.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.1 mt -124.39 85.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 2.1 t 51.84 78.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.01 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -117.99 92.43 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 58.93 161.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.39 -113.26 0.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 19' ' ' PHE . . . 140.05 131.48 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . 37.47 -115.42 0.33 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER 86.15 169.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.57 123.89 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.4 t -81.39 109.84 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.48 7.33 54.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.9 t -100.73 -67.12 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.2 p -79.86 -26.1 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 4.2 tp60 86.61 27.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.98 149.38 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.56 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 31' ' ' HIS . 12.8 t -123.2 146.84 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -99.26 -67.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 178.58 -177.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.37 -66.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -38.85 65.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -38.74 136.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.56 HG13 ' CD2' ' A' ' 35' ' ' PHE . 68.1 t -133.86 119.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -78.63 130.85 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.522 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 2.0 t -135.55 133.08 38.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -40.27 103.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -55.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -156.74 178.08 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 61.0 m -117.92 140.34 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -137.6 159.53 41.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HG23 ' A' ' 17' ' ' VAL . 61.4 m80 -51.81 171.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -70.78 -59.42 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -58.43 -23.44 57.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -69.45 -55.81 9.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CD2' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -61.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -146.18 133.53 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 48.7 t -47.27 110.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.41 2.78 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.723 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 40.2 t -97.37 -74.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -70.83 -21.57 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER 79.22 22.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -101.88 133.96 45.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.407 ' N ' HD13 ' A' ' 36' ' ' LEU . 16.8 p-10 -40.91 148.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . 6.1 mt -127.33 174.45 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.99 173.79 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -75.12 75.07 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.2 t -174.51 123.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 12.3 t 46.89 35.51 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG23 ' CD2' ' A' ' 44' ' ' LEU . 3.7 p -111.7 163.19 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.36 165.16 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -119.41 174.37 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -165.33 98.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.57 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.81 -104.12 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.0 40.62 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -148.65 159.79 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -126.1 134.69 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.723 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 14.6 m-85 -137.48 150.96 47.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.6 p -81.97 141.34 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 48' ' ' THR . 9.5 tttt -38.04 -66.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 59' ' ' LYS . 6.3 p -34.28 -48.57 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.6 m -64.2 -55.98 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 108.316 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.628 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.4 t80 -42.81 -50.24 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.88 -28.29 70.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -65.36 -53.13 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -64.68 -47.78 77.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.0 m-85 -59.13 -31.52 69.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.34 157.24 2.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -118.12 -64.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.65 -173.28 20.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.24 176.72 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.76 -153.64 8.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.18 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.49 -179.37 15.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -158.28 170.44 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.07 -162.39 9.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.17 176.01 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.6 156.25 9.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -172.53 144.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -173.97 139.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.84 131.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -146.45 128.82 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p30 178.8 134.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -172.43 152.87 2.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.93 128.59 3.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -178.92 126.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.91 88.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tp -177.2 134.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.22 95.01 1.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 tp -173.4 100.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.2 106.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -174.31 125.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -177.15 113.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.94 149.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.71 151.11 6.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.41 167.23 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t -157.48 159.04 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -139.83 172.86 12.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.44 95.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.0 m -139.75 133.12 30.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -143.43 145.9 33.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.23 4.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -173.5 163.05 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.35 132.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -159.34 170.34 22.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 139.41 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.61 149.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.91 175.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 67.78 144.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -171.51 176.6 3.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -172.33 149.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.07 172.36 43.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.121 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.9 123.5 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -144.08 130.49 19.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.58 -154.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -129.46 171.89 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.501 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.8 t -100.21 108.62 53.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.522 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -71.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.8 p -77.47 -31.91 54.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.252 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.32 -23.83 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.35 143.26 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.98 162.28 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 139' ' ' HIS . 74.6 t -134.56 123.04 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -175.84 122.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . 67.59 110.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.45 136.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.35 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.29 123.43 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 143' ' ' PHE . 9.3 p -130.0 149.21 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 47.3 mm -125.78 115.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.55 145.64 14.51 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 48.09 55.18 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.17 37.6 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -143.19 170.58 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 35.3 p -125.99 148.27 49.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.67 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -161.38 171.75 17.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 125' ' ' VAL . 40.0 m80 -70.23 119.31 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.1 OUTLIER -64.76 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.6 OUTLIER 155.9 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -89.96 -25.09 21.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.704 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -33.88 97.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.4 ttt180 -102.5 146.26 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 35.7 t -75.07 127.83 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.17 35.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.2 OUTLIER -135.9 -46.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.2 p -109.79 -18.46 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.64 81.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' SER . 6.9 tptt -88.09 144.31 26.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 54.5 p -72.93 137.63 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.13 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 174.93 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -54.04 164.26 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 19.8 m -78.32 57.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -147.33 50.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -102.22 123.28 45.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.508 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -85.75 150.18 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 1.0 OUTLIER -136.05 101.92 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 82.63 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.87 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -117.37 -26.45 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.0 mp0 -77.59 158.05 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.526 HG12 ' CH2' ' A' ' 138' ' ' TRP . 2.6 pt -130.41 138.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.0 m-85 -147.2 -175.29 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.44 145.64 25.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -40.27 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.96 -30.02 65.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.9 m -80.63 -47.3 14.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -59.25 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.35 -63.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.48 -61.78 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 172' ' ' LYS . 25.4 m-20 -39.03 -38.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -123.21 58.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -144.42 157.25 27.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.6 24.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.77 147.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.21 130.03 1.55 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -176.03 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -171.2 158.35 29.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -174.24 151.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -150.3 -125.1 1.27 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.68 144.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -134.83 -155.7 7.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.11 176.06 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 158.19 -134.98 4.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 63.0 132.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.53 123.18 5.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.46 149.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 73.99 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.33 139.41 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.03 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 175.39 166.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.61 162.07 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.42 -145.45 4.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.52 174.7 31.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.24 -151.31 6.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -176.57 4.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -128.4 116.85 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.2 t -65.49 106.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.55 61.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 1.7 t -94.44 -67.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.63 -22.89 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 84.23 27.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.75 43.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 134.52 46.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.547 ' CG2' ' NE2' ' A' ' 31' ' ' HIS . 2.7 t -110.27 145.65 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -165.45 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -108.58 -27.82 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -63.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 1.6 tt0 64.2 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG12 ' CD2' ' A' ' 35' ' ' PHE . 38.2 t -125.41 117.77 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.45 152.67 23.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 49' ' ' VAL . 1.1 m -146.14 162.62 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' CYS . 7.0 mm-40 -36.86 -48.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.27 47.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.554 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -156.21 167.12 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.472 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 3.0 m -177.43 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -142.87 173.83 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' NE2' ' CG2' ' A' ' 17' ' ' VAL . 45.3 m80 -57.52 166.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -68.33 -48.21 65.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -40.46 95.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.7 -46.44 89.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.308 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.582 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.55 95.33 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.88 136.22 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' CA ' HD11 ' A' ' 44' ' ' LEU . 48.1 t -51.95 114.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.364 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.9 tpt -78.31 10.04 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.724 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 35.1 t -106.35 -70.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -77.02 -21.4 54.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER 80.79 21.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 128.87 46.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -53.05 151.99 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 37' ' ' CYS . 12.4 mt -120.96 155.15 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 44.4 m-20 -174.23 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -49.16 175.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -97.06 72.29 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 7.0 t -175.68 43.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 44' ' ' LEU . 5.8 p -107.05 169.84 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -148.02 163.8 35.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.78 159.18 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 10.8 t60 -145.42 145.08 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.18 71.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.565 1.166 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 165.55 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -176.1 -178.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -104.32 142.12 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.724 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 15.4 m-85 -135.99 157.37 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.4 p -87.89 153.5 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -38.5 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 59' ' ' LYS . 63.0 m -31.8 -69.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 35.9 m -41.65 -56.94 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 5.1 t80 -45.8 -52.77 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -17.84 65.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -77.56 -54.3 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -46.38 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 62' ' ' TYR . 8.5 m-85 -67.92 -49.21 63.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.45 11.22 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -141.06 174.29 10.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.92 -164.72 12.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -174.72 176.58 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -142.54 -177.21 17.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -149.84 174.95 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.64 155.35 9.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -178.06 170.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.85 149.78 5.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.03 174.76 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.75 141.9 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -172.15 157.34 4.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.17 136.76 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.4 155.37 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -171.57 150.0 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -177.9 165.71 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.67 153.34 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.54 -172.44 18.41 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -166.42 170.83 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.16 162.02 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.77 160.84 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.75 165.56 38.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.4 tt -170.39 169.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.1 176.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -171.76 172.18 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.78 168.54 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -171.12 170.06 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.18 178.7 41.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -178.66 146.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.19 166.88 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.45 164.47 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.599 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.92 148.86 7.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.44 8.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.9 t -171.72 155.75 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 177.4 99.85 0.12 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -158.33 164.88 35.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.65 175.02 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.3 p -177.82 169.11 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.37 168.7 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -177.46 165.73 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.11 162.59 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -174.81 159.99 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -174.97 150.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.87 175.08 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.74 166.26 26.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.8 136.67 2.07 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -163.29 144.76 9.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 125' ' ' VAL . 4.3 m-20 -179.42 167.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -92.07 169.9 32.58 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.6 t -99.85 108.58 52.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.1 Cg_endo -75.05 0.7 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -70.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.505 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 19.5 p -78.02 -33.99 50.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 108.329 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.05 -22.0 28.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.01 143.2 55.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.49 156.03 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.575 HG23 ' CD2' ' A' ' 139' ' ' HIS . 58.5 t -129.92 116.15 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -166.74 -47.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.72 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.92 163.52 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 68.3 53.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.434 ' CB ' ' CG1' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -108.89 134.37 51.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.54 HG11 ' CE2' ' A' ' 143' ' ' PHE . 9.7 p -127.13 150.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.3 mm -127.42 116.18 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.55 9.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 48.01 62.62 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.13 33.9 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 167.47 21.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 44.5 t -128.45 150.24 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.642 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -169.67 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.575 ' CD2' HG23 ' A' ' 125' ' ' VAL . 44.7 m80 -70.27 125.75 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 141' ' ' SER . 2.2 ttpm? -65.7 75.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER 159.33 -44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -68.79 -23.12 64.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.48 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.27 135.78 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 38.6 t -58.15 126.67 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.15 34.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.497 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.35 -45.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.21 -17.56 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 74.96 14.74 81.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 137.67 32.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 134.29 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -98.87 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -174.31 128.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 69.79 175.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -60.58 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 14.3 t -158.7 25.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.454 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -103.02 158.87 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 170' ' ' TYR . . . -126.47 115.64 19.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -95.64 87.44 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.422 ' HD2' ' CZ ' ' A' ' 174' ' ' PHE . 0.0 OUTLIER -122.08 140.52 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 47.41 62.71 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.01 35.35 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 14.0 mt-10 -136.23 152.73 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.581 HD12 ' CD1' ' A' ' 143' ' ' PHE . 1.7 pt -110.94 136.84 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 26.3 m-85 -141.52 -178.89 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 31.7 p -93.9 146.68 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -47.01 -40.6 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.42 -29.92 67.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 3.3 m -80.52 -47.42 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.564 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -59.3 -33.52 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.6 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.9 mttp -47.41 -60.94 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 95.8 m-20 -39.38 -38.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.0 OUTLIER -123.49 59.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.59 90.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.22 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -175.35 111.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -138.4 -108.38 0.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -52.48 157.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.58 179.42 49.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -137.18 154.16 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -127.9 -106.72 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -173.79 132.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -143.94 141.43 10.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -175.66 175.69 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 157.5 79.15 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -103.35 112.03 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.12 73.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -152.35 125.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.411 ' N ' HD11 ' A' ' 189' ' ' ILE . 65.6 t60 -127.15 -62.75 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 23.2 t -158.76 -58.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.483 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 57.74 4.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 174.55 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -163.14 161.91 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.75 134.31 3.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.2 -162.72 10.52 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.84 -168.04 13.42 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 123.4 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -68.99 116.84 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -78.95 106.52 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 4.73 61.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 1.4 t -94.02 -67.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.7 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 7.1 tt0 85.89 28.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -120.59 155.83 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.2 137.15 38.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 31' ' ' HIS . 59.3 t -104.11 141.9 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -122.62 141.9 51.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -37.64 103.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.45 -53.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -148.85 52.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.0 127.63 35.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HG2' ' A' ' 32' ' ' LYS . 39.4 t -110.79 117.94 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.6 156.26 18.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.47 74.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 64.88 -81.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -27.61 3.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 8.1 p -89.0 172.79 8.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.948 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -166.35 130.85 2.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 56' ' ' ILE . 1.9 m-85 -139.13 169.38 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' A' ' 17' ' ' VAL . 73.9 m80 -62.55 164.03 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 18.8 mttt -62.38 -48.85 77.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.9 p -89.73 40.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.2 m -126.42 -53.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -38.26 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -150.05 133.1 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' CA ' HD13 ' A' ' 44' ' ' LEU . 42.6 t -45.08 114.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 12.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.35 -71.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.9 p -75.53 -23.38 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 81.82 22.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 132.03 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.416 ' N ' HD13 ' A' ' 36' ' ' LEU . 14.2 p-10 -55.28 147.52 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 HD13 ' CA ' ' A' ' 37' ' ' CYS . 88.8 mt -128.22 133.45 48.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.67 96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 47' ' ' THR . 27.1 t 178.96 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 47' ' ' THR . 1.2 m -169.59 64.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -179.03 44.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.591 HG22 ' CE1' ' A' ' 35' ' ' PHE . 1.9 p -115.35 159.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.59 165.98 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.57 164.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -159.83 131.53 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.63 -113.25 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.17 49.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.43 170.28 20.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG22 ' CE2' ' A' ' 30' ' ' PHE . 1.6 pt -117.81 144.38 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.655 ' CE1' ' CB ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -141.99 151.2 42.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' CB ' HD21 ' A' ' 44' ' ' LEU . 21.5 p -81.99 145.78 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.67 -65.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.0 -49.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' LYS . 18.4 m -63.64 -58.13 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -40.23 -53.06 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.1 72.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -64.53 -48.95 73.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -64.97 -52.04 58.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 10.8 m-85 -58.47 -27.65 64.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.17 78.39 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.83 5.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 128.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.47 59.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 176.79 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.02 172.79 39.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -164.91 137.57 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 171.75 179.59 42.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.95 160.2 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.78 152.0 6.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.3 170.3 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.01 139.44 2.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -166.39 146.49 6.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.69 136.14 32.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.75 135.51 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.8 t -96.87 130.54 44.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -113.14 119.97 39.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -172.45 129.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.25 107.9 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.75 126.17 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -109.66 102.22 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.81 116.04 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.68 0.59 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 61.89 119.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -138.19 156.12 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.51 166.91 10.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.32 142.49 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.19 72.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.07 125.02 2.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.28 123.73 26.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -105.86 149.34 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.99 -62.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -179.19 148.81 0.55 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 t -120.47 -49.05 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 178.53 99.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 92.86 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.806 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.13 167.46 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.33 105.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.0 p -176.96 105.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.68 144.5 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.4 ptp -176.84 143.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -132.76 150.2 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -113.29 115.61 28.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 176.63 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.93 61.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.25 13.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.24 -73.3 0.27 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.8 p -61.22 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.09 -153.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -131.52 173.1 20.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.524 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.1 t -100.05 107.85 49.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.587 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -91.39 -69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -80.15 -36.14 35.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.98 -27.29 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 141.78 56.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -54.39 165.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 139' ' ' HIS . 53.2 t -135.9 117.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.4 t80 178.43 -50.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.26 78.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 58.92 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 67.03 51.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -115.24 133.19 56.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -128.52 146.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 132' ' ' ILE . 5.3 mp -124.07 116.4 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.59 147.7 18.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 164' ' ' ILE . . . 47.11 62.89 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 134' ' ' ALA . . . 36.84 36.54 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.44 169.45 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.559 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 8.4 m -126.64 145.78 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.68 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.08 -178.7 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.576 ' CD2' HG21 ' A' ' 125' ' ' VAL . 32.2 m80 -82.01 133.81 35.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 154' ' ' SER . 0.0 OUTLIER -68.73 63.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -179.17 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.3 m -61.22 -42.32 98.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.703 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -30.34 100.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 159.49 22.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.09 127.97 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.91 -46.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.9 p -110.93 -16.66 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.45 -7.34 61.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -54.47 131.4 42.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.2 p -74.46 125.1 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.59 -174.1 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.71 64.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 140' ' ' LYS . 4.5 t 60.75 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 156' ' ' THR . 41.0 m 63.01 165.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 155' ' ' THR . 13.6 t 47.28 24.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.703 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -108.55 125.59 51.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -90.73 143.71 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 99.18 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.5 OUTLIER -87.86 94.04 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 60.64 -82.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -117.75 -31.05 1.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.2 mp0 -72.54 155.72 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 134' ' ' ALA . 2.9 pt -128.78 138.54 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 31.8 m-85 -145.16 -175.15 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.3 p -96.77 143.87 27.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -47.31 -39.03 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.32 -29.92 66.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -81.19 -47.72 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.6 -33.61 70.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.63 -64.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 22.4 mtmt -47.25 -63.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.43 ' OD1' ' CE1' ' A' ' 174' ' ' PHE . 37.5 t-20 -38.69 -37.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.4 m-85 -120.25 59.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -129.93 -85.5 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.59 139.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -171.59 -172.53 37.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.7 164.7 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.35 147.02 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -145.29 166.04 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -130.97 177.76 18.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.54 150.29 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.58 25.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.58 175.14 10.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -116.05 -168.77 15.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.04 157.8 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.44 -64.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 62.73 120.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -127.57 160.96 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.545 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.51 169.42 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.486 0.184 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.48 14.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -143.93 166.74 24.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -108.66 155.2 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.15 -140.0 6.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.82 -154.95 6.5 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.37 -150.75 8.1 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' OE2' ' A' ' 22' ' ' GLU . 4.9 tttm -137.64 -178.68 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 117.34 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t -78.63 107.87 11.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.14 61.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -95.49 -68.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.1 p -78.2 -24.69 47.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 9.5 tm0? 84.98 27.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -118.4 145.88 44.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 137.07 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 22' ' ' GLU . 7.4 t -94.33 143.66 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' TYR . 61.7 t80 -92.39 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' TYR . 1.4 t80 37.63 89.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 175.8 -63.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG2' ' CB ' ' A' ' 32' ' ' LYS . 1.5 tt0 -82.75 -28.03 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -38.87 133.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.547 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 44.6 t -127.89 117.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -104.42 153.58 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -166.31 101.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' CYS . 8.1 tt0 38.29 74.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.97 -46.06 3.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 25.2 p -52.01 148.17 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.43 84.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 28' ' ' SER . 0.5 OUTLIER -128.66 161.58 29.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 60.1 m80 -58.3 156.45 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 tptt -50.57 -57.0 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.8 t -60.19 -42.09 94.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -56.8 -38.65 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 5.7 t80 -71.8 74.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -138.0 132.39 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 45.1 t -41.82 115.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.444 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 3.5 mmt -78.1 14.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -112.55 -71.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.3 p -75.54 -23.56 56.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.0 tttp 80.47 23.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.44 133.42 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' N ' HD13 ' A' ' 36' ' ' LEU . 36.0 t30 -49.84 144.76 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 49' ' ' VAL . 13.0 mt -122.52 149.0 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER 162.85 147.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 109.356 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.73 67.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m 50.39 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.3 m 84.27 -44.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 44' ' ' LEU . 2.2 p -64.98 146.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 49' ' ' VAL . . . -126.04 166.03 17.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -116.17 143.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -152.35 130.32 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.35 -111.59 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.3 51.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 0.809 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -167.17 166.0 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.621 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -111.92 148.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.621 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 3.0 m-85 -146.84 126.55 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' LYS . 26.3 p -59.19 148.35 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 60' ' ' SER . 3.8 ttpt -38.0 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -31.82 -69.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.2 m -42.1 -58.19 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.92 -50.84 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.8 -23.21 72.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.4 tttp -74.89 -48.08 26.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.786 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -62.34 -44.97 95.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 10.7 m-85 -68.22 -47.44 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.61 98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.79 5.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.51 158.28 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.77 -174.88 39.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -173.79 176.42 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.59 -169.61 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.14 176.28 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.99 -165.39 13.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.06 170.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.03 -174.52 33.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.64 175.42 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.08 -165.04 13.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -168.29 163.75 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 176.11 9.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.96 144.32 9.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 t -140.11 146.95 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -149.63 167.04 27.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.95 176.23 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 -171.12 30.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -178.75 170.65 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 t -178.66 170.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.66 176.4 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.28 152.5 6.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 tt -172.65 149.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.68 157.88 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -174.05 157.41 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -178.14 168.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 179.33 171.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.61 165.8 28.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 171.02 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 170.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 174.33 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 148.87 6.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.35 6.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -140.11 163.52 32.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -138.41 132.67 16.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -179.89 148.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.38 175.89 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.8 p -178.0 170.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.37 153.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.38 167.9 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.17 176.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 156.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.48 156.92 8.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -174.26 157.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.51 173.74 40.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.86 -169.68 12.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 158.38 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -157.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.35 171.32 20.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 45.1 t -97.41 109.48 50.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -6.58 18.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -66.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.1 p -80.55 -41.72 23.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.275 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.9 -25.16 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -56.15 -173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.5 160.07 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 139' ' ' HIS . 93.1 t -134.19 123.37 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.82 -67.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 128' ' ' ALA . . . -152.9 178.85 9.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . 80.03 -54.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.5 43.37 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.456 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 8.7 tttm -101.83 123.51 45.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 143' ' ' PHE . 5.8 p -123.58 149.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.95 115.41 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.83 150.78 22.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 50.61 47.41 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.87 37.53 28.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 173.31 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.606 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 5.9 p -128.43 149.59 50.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.675 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -167.15 175.25 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CD2' HG21 ' A' ' 125' ' ' VAL . 38.9 m80 -73.96 129.0 36.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -58.34 -15.8 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 -51.94 5.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 7.2 m -68.4 -59.19 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.651 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 4.6 t80 -34.36 100.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.481 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -143.46 158.35 43.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 41.8 t -50.73 125.8 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.28 32.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 173' ' ' ASN . 7.5 tttt -133.45 -46.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -111.11 -27.5 8.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 108.289 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.19 17.36 50.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -81.37 115.88 20.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 1.1 t -48.09 149.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.33 174.73 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -159.37 -43.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 153' ' ' GLU . 0.3 OUTLIER -174.45 -177.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 156' ' ' THR . 8.8 t 40.33 42.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 167.22 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.435 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -66.79 155.43 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.543 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -134.83 104.99 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.53 102.35 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 79.11 9.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.71 -76.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -125.82 -2.12 7.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.4 mm-40 -101.78 168.05 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.651 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 8.0 pt -137.03 137.05 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 50.6 m-85 -150.07 -174.16 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.1 p -100.8 151.48 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -41.62 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.02 -30.21 66.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -82.48 -47.91 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.4 t80 -57.8 -32.68 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.38 -60.69 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 173' ' ' ASN . 12.3 mtmt -47.61 -61.19 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.7 m-20 -39.57 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.8 m-85 -122.79 61.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -126.85 85.2 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.5 11.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 171.34 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -89.42 162.69 30.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.39 165.87 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -176.83 170.43 43.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -175.69 133.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 173.67 117.13 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -136.92 162.73 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 139.71 149.42 5.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -146.75 149.85 34.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -66.86 163.84 43.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -93.89 68.38 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.05 72.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.9 tt -59.64 148.33 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 62.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.4 79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.958 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.03 28.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.38 99.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -178.27 161.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.27 -168.61 16.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.07 -173.56 32.88 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.56 -156.97 8.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' NZ ' ' H ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -117.81 -179.5 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.555 ' H ' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -129.41 117.49 20.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.8 t -81.97 106.22 13.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.45 5.19 61.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -94.7 -67.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.4 p -81.46 -23.44 37.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 84.34 28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.7 151.33 37.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.11 140.92 49.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 31' ' ' HIS . 39.6 t -104.67 157.36 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -91.31 -79.52 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.14 167.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.17 -68.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -58.57 -28.46 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' HG2' ' CG1' ' A' ' 17' ' ' VAL . 89.1 mt-10 -38.85 136.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 35' ' ' PHE . 72.1 t -122.47 117.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.18 162.34 25.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 111.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.43 54.96 3.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -175.35 161.25 2.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 77.7 p -167.16 123.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -135.5 175.72 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 56.2 m80 -61.23 177.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -80.12 -52.82 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -66.63 -36.18 81.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -56.53 -40.16 74.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 56' ' ' ILE . 6.4 t80 -62.03 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -139.04 132.52 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.3 t -46.55 115.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.73 12.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.696 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 22.0 t -110.11 -70.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -77.12 -25.57 52.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER 84.84 24.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.96 129.66 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' N ' HD11 ' A' ' 36' ' ' LEU . 16.8 p30 -62.24 145.96 52.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -129.36 145.22 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.53 81.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.1 p 57.85 112.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.64 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -175.0 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG22 ' CE2' ' A' ' 35' ' ' PHE . 3.4 p -78.29 159.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -132.68 165.13 25.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 5.1 t -119.48 142.75 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.439 ' NE2' ' OH ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -149.92 119.94 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 -94.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -141.57 43.09 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 0.814 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 11.3 mt-10 -152.09 159.06 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -108.78 140.02 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 22.2 m-85 -145.2 127.0 15.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -56.91 150.59 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' SER . 7.8 tmtt? -37.15 -68.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' LYS . 24.5 m -33.02 -69.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' LYS . 60.3 m -43.25 -55.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.296 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.49 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.04 -55.53 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.6 -17.64 67.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -75.65 -52.72 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -46.37 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 52' ' ' HIS . 18.2 m-85 -66.67 -48.72 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.53 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.29 4.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 176.42 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.59 -165.02 10.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.05 174.27 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.52 -174.73 35.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.44 175.18 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.81 -169.92 27.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -161.99 170.47 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.88 -159.53 8.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.86 175.98 4.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.735 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.17 -162.21 9.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -167.87 153.12 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -135.56 159.44 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.0 m -145.03 170.48 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -144.82 165.39 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -153.72 167.42 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 176.62 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.42 -175.73 34.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.09 171.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -179.73 167.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.42 176.77 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.24 151.47 8.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.5 tt -173.33 153.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.95 164.22 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -165.82 168.68 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.94 160.6 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.67 166.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.04 156.3 13.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.65 158.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.797 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 t 177.86 155.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 157.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -165.72 120.22 0.93 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.35 4.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 102' ' ' ASN . 20.6 m -132.47 149.42 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG23 ' A' ' 101' ' ' THR . 15.2 p-10 -101.34 132.72 21.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.39 4.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -127.3 162.71 25.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.38 170.89 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 169.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.06 145.48 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.7 ptm -119.55 162.6 18.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -144.96 170.75 15.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -166.28 164.18 17.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.15 164.71 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.2 p -170.37 162.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.16 82.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.5 174.06 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.63 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.946 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.02 -153.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.89 172.3 23.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.5 t -100.29 108.11 50.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -93.65 -70.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -77.89 -33.18 52.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.01 21.62 20.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.86 133.18 53.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.769 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -43.32 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 139' ' ' HIS . 79.7 t -134.06 119.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 127' ' ' ALA . 41.0 p90 -178.05 171.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.401 ' HB3' ' CD1' ' A' ' 126' ' ' TYR . . . 71.93 -78.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.94 48.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 66.83 51.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.453 ' CB ' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -125.12 90.24 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -81.96 149.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.3 116.68 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.85 153.45 25.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 46.51 52.71 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.89 42.14 6.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -149.51 165.69 31.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.6 m -123.83 139.69 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.649 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -157.99 174.23 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.569 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -75.87 127.6 33.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -56.42 -18.06 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -52.2 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.98 -59.74 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 131' ' ' VAL . 2.2 t80 -32.28 103.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.69 143.67 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 t -41.91 126.66 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.89 33.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.423 ' HD2' ' CD1' ' A' ' 165' ' ' TYR . 6.7 mttt -133.76 -46.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.6 -25.56 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.37 20.97 46.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.04 115.91 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.8 p -60.43 141.98 55.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -174.51 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.463 ' HB3' ' CG ' ' A' ' 140' ' ' LYS . 4.2 pt-20 -164.48 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 155' ' ' THR . 60.0 p -134.77 137.65 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 154' ' ' SER . 77.0 p 44.36 -168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 157' ' ' LEU . 25.8 m 70.54 -55.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -46.93 172.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.505 ' N ' ' CD1' ' A' ' 157' ' ' LEU . . . -146.87 120.56 9.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.475 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 1.5 p-10 -92.86 101.68 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 99.61 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.9 t0 43.1 57.15 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.73 -46.69 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 19.0 mm-40 -53.13 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.5 pt -133.75 131.7 56.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.9 m-85 -143.76 -171.84 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.5 p -102.71 142.34 34.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 -42.81 5.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.93 -33.02 59.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.85 -47.42 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.06 -31.5 65.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.07 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 27.9 mttt -45.78 -59.03 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 11.8 m120 -38.45 -43.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 2.1 m-85 -132.06 62.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -174.9 65.72 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.75 5.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -129.96 -62.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 170.85 94.55 0.1 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -170.65 51.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -80.7 152.48 33.6 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -142.28 173.14 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 165.23 114.64 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -111.08 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 126.02 -109.53 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 64.14 152.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.75 170.96 28.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -175.67 -61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.76 -66.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 2.7 mp 65.69 89.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -124.71 147.48 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 93.6 p -63.78 114.17 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.941 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.521 0.201 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.24 4.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.16 149.2 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -97.96 118.9 35.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.53 -62.88 2.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.91 135.82 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.4 -99.3 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.67 178.02 5.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -123.22 114.42 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.6 t -80.38 105.91 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.99 5.66 61.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.578 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.79 -65.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.4 p -83.94 -22.86 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 83.67 29.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.94 158.0 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 135.86 37.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 31' ' ' HIS . 60.7 t -98.42 155.42 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -141.06 153.83 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -53.56 98.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 180.0 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -146.92 51.29 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 4.4 tt0 -92.31 134.18 35.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -120.08 117.82 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.89 156.99 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -140.52 141.7 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.27 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' CYS . 2.6 mm-40 -36.84 -52.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.5 48.29 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 176.53 -177.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 94.2 p -172.7 129.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 3.8 m-85 -145.36 175.59 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 77.8 m80 -69.01 171.49 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -69.73 -42.68 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -90.65 37.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -127.85 -47.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.255 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -52.1 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -152.16 129.69 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 48.3 t -48.95 111.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.2 9.3 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.708 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 35.3 t -105.93 -73.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -73.4 -25.07 60.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 84.3 24.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.25 128.91 44.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.402 ' N ' HD13 ' A' ' 36' ' ' LEU . 7.1 m120 -60.89 144.31 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 56' ' ' ILE . 17.3 mt -125.32 139.81 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.6 83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.414 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER 169.35 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 46' ' ' SER . 35.0 p -153.96 -171.02 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 1.7 p 54.97 27.32 9.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.578 HG23 ' CE1' ' A' ' 35' ' ' PHE . 5.4 p -106.38 152.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . . . -136.37 165.74 25.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.401 HG12 ' CB ' ' A' ' 28' ' ' SER . 4.1 t -120.11 174.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t-80 -169.5 95.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.42 -125.0 24.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -91.8 35.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -148.53 154.97 40.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -118.51 144.33 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.708 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 22.7 m-85 -143.4 148.85 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' LYS . 14.5 p -84.58 156.05 21.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -39.18 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 59' ' ' LYS . 19.0 t -32.17 -69.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 40.1 m -41.88 -58.43 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.67 -55.03 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.21 -20.08 62.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -78.86 -47.2 17.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -52.77 46.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -67.64 -48.42 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 41.61 81.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -128.76 135.46 49.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.4 -161.3 37.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 165.88 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.19 172.32 44.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -172.13 170.47 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.15 -154.45 6.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.95 163.95 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.34 -158.56 26.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.59 105.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.69 155.09 16.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -160.62 134.52 7.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.54 121.97 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.5 p -173.3 122.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -127.73 157.82 39.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 p30 178.56 162.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -170.85 146.53 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.43 175.84 22.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -165.69 145.54 6.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.38 147.57 25.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.23 147.99 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -143.01 152.04 23.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.75 147.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.14 163.24 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 14.2 p90 -158.7 149.9 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.48 150.9 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -173.58 147.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.47 126.49 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -177.32 131.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.0 p -175.97 121.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -177.29 150.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -156.33 137.64 9.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.54 36.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.9 t -172.54 122.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.76 141.18 1.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -166.03 149.09 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.14 153.2 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 170.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -155.52 145.47 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.06 168.84 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.6 170.05 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.59 153.43 31.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.36 133.38 25.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.43 146.38 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.18 128.66 1.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.15 160.39 32.68 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.21 130.19 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.99 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.511 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 1.6 m-20 -150.75 -154.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.66 172.07 23.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -100.49 108.01 51.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.482 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.06 -0.08 9.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.5 p -77.94 -33.48 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.6 21.99 17.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.54 135.37 50.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.24 155.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 139' ' ' HIS . 70.9 t -134.63 127.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -171.58 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -75.82 -166.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.46 152.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.44 55.25 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -124.73 124.43 42.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.7 p -129.58 146.38 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.42 116.53 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.54 145.28 15.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 48.73 57.73 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.71 31.95 2.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 170.67 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.511 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -134.58 140.03 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.675 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.42 173.69 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 32.3 m80 -78.46 116.73 19.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.424 ' N ' HG12 ' A' ' 131' ' ' VAL . 4.5 tttt -43.6 -26.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 139' ' ' HIS . 23.7 p -68.59 -55.6 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -67.74 -56.21 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -32.1 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptm180 -135.4 152.29 51.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.5 t -46.27 126.94 8.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.68 33.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -46.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.5 p -110.22 -22.28 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.08 19.01 63.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 116.36 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 52.1 p -44.71 139.34 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.86 -173.7 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.7 p 46.91 -168.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -75.25 63.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.0 m -133.0 8.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -175.1 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.526 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -142.15 108.17 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -96.99 92.97 6.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -128.66 140.85 51.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 163' ' ' GLU . 17.4 m-20 47.84 64.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.48 28.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -127.17 152.88 46.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 8.3 pt -117.71 138.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 50.5 m-85 -143.98 -175.91 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 31.5 p -98.61 144.8 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.17 -39.79 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.17 67.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -81.99 -48.16 11.79 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.584 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.69 -33.35 70.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.97 -62.86 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 173' ' ' ASN . 46.4 mttm -47.47 -61.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 172' ' ' LYS . 4.2 m-20 -39.59 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -121.97 59.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -125.64 76.67 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 168.44 24.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.92 63.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -134.55 155.72 22.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -175.53 113.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -145.28 -63.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.33 131.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -118.93 -154.6 9.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -121.57 -59.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -42.95 125.26 4.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -153.53 167.08 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 151.48 -158.39 27.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 62.06 109.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.13 -62.52 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.41 66.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.99 171.2 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 3.0 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 176.66 164.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -160.76 161.63 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.09 162.31 12.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.71 175.74 42.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 170.92 39.17 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.31 178.28 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -129.92 115.0 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -70.27 106.76 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.339 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.71 5.39 61.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.69 -66.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 27.6 p -82.63 -23.38 34.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.6 tt0 85.02 28.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -117.09 147.49 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.34 148.71 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.553 HG21 ' CD2' ' A' ' 31' ' ' HIS . 17.6 t -125.6 163.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.76 177.69 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -96.01 64.57 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 177.96 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -40.53 93.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.9 129.25 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 35' ' ' PHE . 54.8 t -100.69 117.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 119.84 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -128.55 147.39 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -47.82 -60.79 2.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -52.34 -27.48 24.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 161.16 -173.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -110.33 133.78 52.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 1.7 m-85 -137.35 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 17' ' ' VAL . 53.1 m80 -62.68 175.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' SER . 1.6 pttt -74.2 -47.67 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 4.3 t -72.36 -35.02 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 m -57.07 -40.53 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 56' ' ' ILE . 5.6 t80 -67.26 78.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -138.67 136.84 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' CA ' HD12 ' A' ' 44' ' ' LEU . 47.4 t -50.15 114.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.55 10.83 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.692 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 39.9 t -106.5 -68.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.8 p -78.55 -25.42 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tttp 85.85 23.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 128.09 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.0 m120 -57.58 144.59 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 37' ' ' CYS . 11.5 mt -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.26 -64.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.79 79.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -158.88 86.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 20.9 m 53.19 62.65 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.42 150.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.69 165.56 21.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 ' CG2' ' SG ' ' A' ' 25' ' ' CYS . 4.0 t -120.64 165.61 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 38.2 t60 -166.11 108.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.36 -105.77 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -119.27 45.06 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.34 158.12 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -116.27 144.26 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 22.5 m-85 -143.93 132.13 21.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.3 p -68.95 136.7 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 0.6 OUTLIER -39.85 -60.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.22 -48.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 m -62.85 -54.89 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -45.05 -51.53 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.38 -24.61 76.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -71.84 -36.79 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -81.86 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 38.5 m-85 -57.65 -30.3 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.52 98.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.59 11.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 175.76 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.78 176.82 48.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.62 176.02 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.37 169.89 39.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.86 176.28 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.11 -177.97 41.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.6 mtm -179.34 169.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.75 173.8 46.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.13 -178.06 35.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -131.52 177.41 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.366 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.86 171.32 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.9 p -149.62 169.86 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.5 m -151.5 145.51 25.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.33 165.64 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 175.95 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.34 -169.06 21.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -172.59 169.84 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.7 p -165.13 170.02 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.948 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.7 mt -148.85 175.75 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.24 179.6 41.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 tt -164.7 173.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -166.88 173.32 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -173.91 173.56 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -173.22 165.52 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -179.78 156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.64 160.88 25.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -178.43 147.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 170.02 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -147.66 173.06 13.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -151.46 94.88 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.22 7.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 111.06 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.4 m -149.73 154.37 38.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -155.5 132.69 6.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.2 7.58 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -153.94 165.67 35.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -156.95 174.91 14.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -172.0 168.88 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -165.91 166.66 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.43 167.72 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.2 174.46 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -154.1 168.06 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.12 175.81 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.36 143.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.84 36.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -143.76 -176.08 17.47 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.8 m -164.32 171.99 14.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.2 OUTLIER -176.82 177.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -100.22 171.63 23.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.7 t -98.28 108.83 49.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.97 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -91.92 -69.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.456 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.0 p -79.25 -37.19 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.6 9.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -111.67 138.42 48.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.428 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -50.72 153.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.515 HG21 ' CD2' ' A' ' 139' ' ' HIS . 92.3 t -134.61 116.18 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -127.26 -161.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.48 136.58 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 66.67 133.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 60.96 43.02 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.6 OUTLIER -132.82 98.3 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.613 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.0 p -89.2 152.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.0 mt -131.94 115.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.51 153.83 25.38 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 47.9 45.58 18.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 50.25 42.41 41.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -148.37 166.8 27.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 137.62 54.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.663 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -158.55 173.65 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 44.6 m80 -74.7 130.42 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -60.44 -14.52 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -50.71 8.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.78 -59.36 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 3.2 t80 -32.56 105.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 11.3 ptt-85 -150.58 145.53 25.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.2 t -42.6 127.16 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.55 34.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 0.1 OUTLIER -135.05 -46.53 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.9 p -110.14 -21.63 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.43 19.36 62.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 117.54 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 11.8 p -57.46 141.1 48.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -174.98 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 154' ' ' SER . 2.6 tm-20 -172.81 56.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 153' ' ' GLU . 0.4 OUTLIER 38.97 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 m -157.26 -60.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.9 t -139.6 48.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -101.35 175.14 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.519 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -135.21 152.57 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 6.7 p30 -127.27 105.08 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -101.45 95.46 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 39.41 64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.82 -50.46 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.5 mp0 -52.98 156.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 3.6 pt -133.94 132.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 55.8 m-85 -143.1 -174.45 4.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.9 p -97.76 151.99 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -46.54 -44.0 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.09 -29.37 62.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.1 m -80.81 -47.38 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.519 ' CG ' ' HB2' ' A' ' 158' ' ' ALA . 1.3 t80 -59.06 -33.29 70.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.25 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.0 mtpt -47.8 -60.71 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.413 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 63.3 t-20 -39.99 -38.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -122.81 58.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -123.14 83.54 0.36 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.33 10.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.48 149.97 26.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -153.16 -173.65 22.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -110.24 158.38 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -100.49 80.56 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -108.71 125.78 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 137.91 117.82 1.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.9 126.2 33.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -91.53 65.02 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 62.58 66.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.781 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -87.65 78.57 1.81 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -80.17 72.11 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.25 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 6.3 pt -98.71 173.65 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -56.87 157.48 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 29.6 p -93.06 -58.41 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.997 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.13 4.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -164.33 166.78 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -146.91 162.1 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.48 150.88 5.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.15 169.95 27.32 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.51 164.08 10.56 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.77 173.68 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.64 113.36 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.2 t -71.84 107.47 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.57 5.73 60.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 13' ' ' CYS . 2.2 t -96.62 -66.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 26.6 p -80.92 -22.88 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER 83.77 27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.4 144.94 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 140.96 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG23 ' CD2' ' A' ' 31' ' ' HIS . 19.0 t -109.41 140.68 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.09 145.78 45.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -37.26 102.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.84 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.9 pt-20 -134.69 -57.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 27.37 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.2 t -85.44 118.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -71.98 164.6 25.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -161.61 76.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' CYS . 5.0 tt0 37.32 78.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.92 -47.17 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.39 175.34 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -164.85 110.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.2 m-85 -116.9 162.69 17.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CD2' HG23 ' A' ' 17' ' ' VAL . 63.5 m80 -60.16 158.62 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.556 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -52.16 -39.26 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.66 31.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.4 m -132.21 23.85 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CE2' ' SG ' ' A' ' 25' ' ' CYS . 4.7 t80 -122.35 71.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 43' ' ' ASN . 1.4 tt -138.3 135.58 35.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' CA ' HD12 ' A' ' 44' ' ' LEU . 49.1 t -47.91 113.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 9.36 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.659 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 43.3 t -104.36 -68.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.2 p -78.76 -25.11 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER 85.8 23.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.28 127.18 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 36' ' ' LEU . 8.6 p30 -54.07 148.05 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 56' ' ' ILE . 23.4 mt -122.99 141.62 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -139.9 -58.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.27 72.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -153.31 76.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.8 t 40.35 51.68 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 50' ' ' ALA . 3.3 p -78.12 144.99 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 62' ' ' TYR . . . -126.14 166.09 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.41 158.09 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 14.2 t-160 -162.81 114.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.18 -109.24 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 50.31 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.22 160.95 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -115.39 145.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.659 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 23.1 m-85 -145.29 131.29 19.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . 22.1 p -69.25 140.93 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.37 -67.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -31.37 -56.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.81 -58.95 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -44.37 -59.82 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -21.56 55.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -40.21 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -73.75 -57.11 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -65.47 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.94 178.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.54 5.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -112.87 164.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.96 -164.41 24.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.71 170.01 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.57 -174.34 28.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -156.18 156.74 34.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.4 -169.99 12.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.08 170.62 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -159.91 -175.58 31.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.54 174.48 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.87 -163.34 9.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.9 m -148.81 159.31 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 110.407 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mp -117.56 168.98 9.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.73 169.76 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.8 p -146.66 163.89 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.32 167.37 25.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.89 170.66 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.44 160.32 29.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -176.82 145.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 p -169.93 152.12 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 pp -168.53 151.4 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.14 130.35 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 pt -150.87 166.53 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.53 159.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -149.94 156.15 41.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.0 144.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -160.53 148.42 16.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.21 153.94 11.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -174.09 144.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.1 t -169.79 158.53 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.93 172.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.04 148.81 30.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -142.41 157.95 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.97 130.74 20.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -157.94 125.39 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.86 169.88 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 167.26 30.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.72 125.86 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 tpp -159.84 121.39 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.31 174.55 15.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.66 143.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.48 117.45 6.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.13 139.23 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.29 -151.0 5.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.157 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.49 -135.41 6.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.5 m -87.68 154.13 20.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.8 -153.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.44 172.15 23.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -99.83 108.24 50.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.569 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -93.96 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.4 p -77.68 -32.68 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.34 21.67 21.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.78 134.1 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.57 155.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 139' ' ' HIS . 68.9 t -134.34 124.26 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -170.58 136.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 67.2 -154.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.39 138.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.06 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -145.49 134.5 22.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 143' ' ' PHE . 9.8 p -132.28 147.92 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.85 116.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.62 157.57 27.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 45.88 48.82 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 45.27 45.1 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.93 158.8 38.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.3 OUTLIER -115.02 140.88 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.686 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -159.78 174.33 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 108.027 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.4 m80 -76.72 128.57 34.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.466 ' CE ' ' HG2' ' A' ' 153' ' ' GLU . 10.2 ttpt -56.87 -17.62 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.92 -51.9 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.8 m -70.98 -59.01 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 108.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.591 ' CD2' HG12 ' A' ' 131' ' ' VAL . 2.0 t80 -32.79 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.472 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 2.1 ptt180 -143.73 166.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.9 t -64.27 126.94 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.32 33.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -133.78 -46.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.7 p -110.23 -23.6 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.85 58.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -86.52 118.8 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.472 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 89.2 p -52.4 145.9 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -174.31 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 140' ' ' LYS . 2.4 mt-10 -156.54 -66.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 166.64 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 m 38.99 48.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.3 m -169.07 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 169.69 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.525 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -143.27 115.7 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 6.0 p-10 -90.59 104.11 16.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 95.31 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 43.89 59.21 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.53 -45.65 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 47.2 mm-40 -56.09 163.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 143' ' ' PHE . 13.6 pt -136.99 135.49 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.3 m-85 -148.59 -174.02 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.0 p -100.58 147.8 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -43.81 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.47 -32.07 60.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.6 m -80.63 -47.95 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 2.5 t80 -56.65 -31.99 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.465 ' HA ' ' CA ' ' A' ' 175' ' ' GLY . . . -81.0 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 6.3 mtpm? -45.83 -60.15 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.633 ' HB3' ' CD2' ' A' ' 174' ' ' PHE . 6.7 m120 -38.27 -42.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.633 ' CD2' ' HB3' ' A' ' 173' ' ' ASN . 3.6 p90 -179.04 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 174' ' ' PHE . . . 65.09 -145.42 49.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 171.0 19.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.32 -51.89 64.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 116.64 -177.6 16.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -171.52 130.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -164.3 141.68 7.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.67 143.99 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.97 169.71 52.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -155.35 60.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -102.65 78.53 0.33 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -107.92 99.64 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -93.21 104.45 3.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -126.23 94.67 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 17.6 tp -160.31 134.32 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 17.3 tt -101.58 160.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -125.74 167.55 15.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.622 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.42 164.2 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.982 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.521 0.201 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 t30 179.09 92.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -176.29 158.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.27 -162.51 10.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.08 47.77 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.88 -170.1 42.94 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 3.6 mttt -116.14 -177.42 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -123.3 126.75 47.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.0 t -83.79 108.64 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.84 4.62 60.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.88 -68.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -78.06 -24.86 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.28 27.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 146.16 47.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 138.69 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 31' ' ' HIS . 22.3 t -104.27 141.08 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.69 169.63 8.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.51 91.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 -60.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -113.9 -74.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' OE2' ' CB ' ' A' ' 8' ' ' LYS . 7.9 tp10 39.43 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 52.9 t -91.99 117.58 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.05 155.81 40.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -137.71 141.18 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -36.29 -53.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.82 47.14 1.03 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 171.78 -164.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 m -170.53 131.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 1.5 m-85 -140.12 173.89 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG21 ' A' ' 17' ' ' VAL . 52.4 m80 -66.25 174.62 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 9.8 tttm -67.73 -61.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 p -60.11 -34.85 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.2 m -56.21 -38.85 71.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 49' ' ' VAL . 4.6 t80 -63.72 79.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.2 132.43 23.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 47.5 t -45.02 115.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.74 15.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' CYS . 18.1 t -113.62 -71.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -75.82 -23.12 55.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.5 ttmt 81.42 23.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -95.13 130.02 42.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.53 146.37 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD12 ' CG2' ' A' ' 49' ' ' VAL . 6.2 mt -126.91 166.53 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 171.42 113.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.2 p 50.99 55.45 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -138.55 -149.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -88.59 18.97 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 35' ' ' PHE . 1.6 p -56.45 152.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.93 165.83 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -115.19 138.79 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 58.9 t60 -149.36 141.22 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.04 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.18 56.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -173.0 172.4 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.612 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -107.45 149.09 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 7.5 m-85 -148.25 125.36 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -62.4 136.38 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 60' ' ' SER . 30.7 tptt -37.13 -62.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 59' ' ' LYS . 3.4 m -34.57 -50.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.1 m -62.17 -55.77 25.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.1 t80 -43.16 -50.39 6.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.44 75.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -68.44 -56.95 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -62.25 -47.03 86.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.719 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.1 m-85 -60.34 -37.03 79.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.58 98.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.41 6.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.95 176.43 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.74 -179.25 45.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.15 175.68 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.24 173.83 36.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.46 176.62 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.48 -172.87 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.07 167.45 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.38 -152.59 9.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.29 172.28 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -145.89 -166.75 12.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 t -172.4 163.45 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pp -149.87 176.4 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 p -158.82 169.55 24.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -152.08 135.93 16.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -101.89 164.69 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 169.31 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.91 13.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.78 169.89 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -135.46 168.95 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.63 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -112.38 -149.9 11.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -152.6 142.5 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.84 167.55 13.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.78 170.02 16.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 29.7 tt0 -164.37 144.1 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -177.74 156.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.62 8.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.5 143.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 t -179.88 124.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -177.8 142.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -171.21 120.05 0.48 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.39 4.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -169.31 156.13 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -171.95 92.82 0.41 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -159.64 167.26 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.45 175.5 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -174.02 169.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.92 165.82 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.1 ptm -151.22 170.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.82 175.54 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -111.04 171.33 7.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -107.74 170.82 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -82.52 175.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.9 -140.32 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.57 134.75 3.95 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 m -149.55 161.54 41.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.5 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 5.3 m-20 -150.71 -157.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.76 171.69 23.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.1 t -99.75 108.89 53.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -70.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.7 p -79.26 -33.59 43.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.08 -26.55 14.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.21 138.53 57.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 0.72 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.71 165.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 139' ' ' HIS . 71.6 t -136.25 123.64 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -171.06 135.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 67.64 -151.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.52 137.92 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.11 57.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 128.07 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.585 HG13 ' CD2' ' A' ' 143' ' ' PHE . 8.4 p -128.62 149.58 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.03 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 149.78 21.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 47.02 55.44 8.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.26 38.97 5.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 173.17 11.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.5 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 2.9 p -132.96 144.14 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.681 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.5 176.93 11.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.0 m80 -78.34 127.18 31.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -18.76 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.2 p -79.48 -53.16 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.75 -59.71 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.585 ' CD2' HG13 ' A' ' 131' ' ' VAL . 3.9 t80 -33.62 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.7 mtt180 -128.03 170.64 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 152' ' ' LEU . 32.2 t -72.5 128.34 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.18 34.91 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 -46.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.4 p -111.02 -26.55 9.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.75 19.93 52.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 130.16 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.449 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -50.19 144.07 7.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -110.36 -173.12 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.76 174.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.9 t -50.8 149.32 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.5 m 39.14 65.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.51 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 159' ' ' ASP . 0.1 OUTLIER -71.76 169.53 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -145.02 98.67 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.475 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -86.1 104.27 15.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 76.78 9.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.62 -76.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -121.96 -13.89 4.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.6 mm-40 -92.3 168.29 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 6.4 pt -137.32 135.55 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.3 m-85 -148.36 -173.29 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.4 p -99.64 148.91 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.48 -43.87 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.45 -32.16 60.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.2 m -80.51 -47.18 14.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.512 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.5 t80 -57.15 -32.02 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -82.23 -65.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.1 mmtm -45.28 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 3.0 m120 -38.08 -44.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 173' ' ' ASN . 3.9 m-85 -133.78 63.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -37.6 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.9 11.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.38 80.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.7 t80 52.99 171.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -177.79 91.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -95.88 139.33 32.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -149.08 79.88 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -174.92 56.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.796 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -69.4 126.3 18.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -166.51 131.34 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -150.93 76.62 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -101.74 126.81 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.87 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.49 69.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 17.4 t60 41.03 77.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 32.8 m 61.94 170.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.971 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.534 0.207 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.98 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -179.96 166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -174.94 156.7 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.22 156.23 9.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.29 179.25 47.5 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.16 179.31 41.63 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 179.55 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -121.62 121.62 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.5 t -80.93 105.54 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.251 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.43 6.29 61.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.8 t -94.2 -65.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 29.0 p -84.52 -23.0 29.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.6 tt0 83.84 29.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 175.46 5.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.81 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG1' ' HG3' ' A' ' 22' ' ' GLU . 98.2 t -109.24 135.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 4.7 t80 -113.93 123.1 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 18' ' ' TYR . 18.2 p90 -37.51 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . . . 174.57 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 32' ' ' LYS . 4.7 pt-20 -134.5 44.57 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 tt0 -92.06 132.59 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 74.3 t -120.11 117.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -97.2 161.61 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.84 170.57 20.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.01 110.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.45 54.81 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -171.04 168.73 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 50.3 p -169.86 123.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.6 OUTLIER -138.28 165.03 27.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 73.2 m80 -59.92 155.03 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.632 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' CG ' ' HB2' ' A' ' 21' ' ' GLU . 9.4 ptmt -52.21 -36.58 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -93.93 23.57 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 35.4 m -127.08 31.41 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 1.8 t80 -133.59 87.3 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -141.55 133.36 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 44.4 t -45.4 114.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 14.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 37' ' ' CYS . 15.7 t -113.51 -72.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 9.5 p -74.5 -24.34 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 83.63 21.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 126.98 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' N ' HD11 ' A' ' 36' ' ' LEU . 9.4 p30 -64.51 147.77 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -124.88 163.69 21.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.96 -66.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 p 170.16 110.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.12 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 13.3 t -136.84 62.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -113.06 173.35 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 62' ' ' TYR . . . -155.54 164.78 38.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.39 154.49 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -156.0 127.0 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.16 -117.74 3.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.83 47.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -159.31 165.3 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.596 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -114.52 148.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 2.0 m-85 -145.63 143.79 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' LYS . 19.7 p -78.01 136.59 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' THR . 11.7 tttt -38.34 -61.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -34.14 -49.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.7 m -62.96 -57.1 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.327 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -43.02 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.66 -26.75 72.13 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -44.85 76.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -69.63 -55.72 9.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 62' ' ' TYR . 12.6 m-30 -58.22 -28.11 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.48 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.06 11.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.11 174.05 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.52 -177.58 47.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.1 176.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.37 -172.99 35.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.58 175.43 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -172.04 -175.29 40.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.19 167.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.95 166.09 24.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.1 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.04 174.03 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -171.51 -176.63 40.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -171.95 163.1 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.44 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -174.11 174.78 2.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.22 160.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -171.71 159.59 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -171.99 166.65 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.65 175.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.63 172.33 39.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.43 166.2 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -177.35 168.42 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -176.39 175.7 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.32 -178.75 47.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 tt -173.02 170.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -176.45 175.6 1.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -173.48 171.5 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -178.18 168.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -178.23 170.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.52 173.35 41.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -178.41 169.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p 178.42 167.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 166.76 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.84 95.0 0.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.83 9.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -171.73 158.98 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 176.77 99.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 175.31 161.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.1 175.96 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 161.56 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.24 165.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.23 170.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.28 164.68 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -177.3 167.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.5 160.61 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.4 168.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 155.29 159.76 9.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.11 150.37 6.02 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.75 150.77 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 0.8 OUTLIER -160.67 -153.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.51 172.13 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.6 t -99.42 108.93 52.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -2.35 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.16 -70.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -79.41 -34.84 41.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.52 -25.92 14.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -61.15 141.57 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 163.2 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -134.94 117.11 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -159.7 139.18 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.496 ' O ' ' CD ' ' A' ' 130' ' ' LYS . . . 66.34 -157.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.04 134.45 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 77.67 61.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -146.11 93.04 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.6 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.9 p -84.73 149.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 34.6 mm -127.02 116.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.54 146.25 15.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 45.68 59.54 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.89 39.48 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -140.47 168.75 19.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -128.73 137.7 51.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.677 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -156.3 175.38 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 38.5 m80 -79.75 127.61 32.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.13 -16.81 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -51.99 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.502 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.19 -59.68 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 164' ' ' ILE . 2.2 t80 -29.24 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.465 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptt180 -139.21 168.58 19.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.95 125.88 25.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.42 31.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -46.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.4 p -111.0 -26.45 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.29 20.67 44.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -88.19 118.09 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 98.3 p -49.64 145.65 4.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.57 -173.68 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -141.3 -65.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 t -175.89 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 156' ' ' THR . 23.5 m -81.1 67.21 6.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 169.46 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.42 173.62 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.509 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -139.06 111.04 7.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.48 93.64 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.0 OUTLIER -91.28 -163.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.92 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . 44.73 34.72 3.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.7 mm-40 -136.77 162.35 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.658 ' CD1' ' CD1' ' A' ' 143' ' ' PHE . 18.4 pt -130.69 136.67 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.5 m-85 -146.63 -173.65 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.5 p -101.35 150.03 23.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -43.79 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.66 -30.31 62.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.3 m -81.89 -47.56 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 158' ' ' ALA . 1.8 t80 -57.84 -32.56 67.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.29 -61.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 173' ' ' ASN . 8.7 mtpt -47.32 -60.74 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 172' ' ' LYS . 99.1 m-20 -39.66 -39.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 171' ' ' ALA . 4.9 m-85 -123.28 58.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -153.28 97.27 0.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 156.76 43.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -114.54 142.49 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.93 -149.06 8.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -149.93 172.48 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.52 -161.55 10.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.75 171.49 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -102.48 -167.35 26.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -149.2 170.93 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -109.67 -174.95 21.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.31 33.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -173.96 151.32 12.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.43 1.081 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -167.4 153.98 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.402 ' O ' ' CG2' ' A' ' 189' ' ' ILE . 0.2 OUTLIER -160.52 93.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 188' ' ' LEU . 1.9 tt 49.59 -177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 65.53 107.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 90.0 p 48.61 81.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.989 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.67 6.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.515 1.798 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 t30 174.86 130.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.8 162.11 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.18 152.64 5.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.7 167.63 20.58 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.59 159.51 8.82 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -179.84 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.75 121.93 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.5 t -81.89 107.74 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.04 4.55 61.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -95.48 -67.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.9 p -79.5 -23.24 43.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 83.27 27.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 146.13 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.47 153.04 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG21 ' CD2' ' A' ' 31' ' ' HIS . 47.8 t -119.86 156.3 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' N ' HG11 ' A' ' 17' ' ' VAL . 2.5 m-85 -121.58 118.61 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 25.0 p90 -37.61 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.52 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -111.2 -13.82 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.3 pt-20 -38.95 133.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.532 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 53.4 t -116.11 117.19 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 165.67 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -148.79 145.44 27.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' CYS . 33.1 mt-10 -37.6 -52.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.84 48.7 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 176.44 -174.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 0.722 . . . . 0.0 110.002 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.465 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 48.3 p 179.46 117.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.41 172.33 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 36.7 m80 -59.19 175.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 10.5 ttpp -71.79 -55.57 7.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -66.13 -36.88 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.59 -39.74 74.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 6.6 t80 -66.74 78.22 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 43' ' ' ASN . 1.2 tt -138.62 134.51 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 41.9 t -44.93 115.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.468 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -78.88 13.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CD2' ' A' ' 57' ' ' TYR . 22.0 t -110.35 -70.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.0 p -76.86 -23.55 52.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 30.2 tttt 81.43 24.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 126.25 50.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -47.48 146.09 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 58' ' ' CYS . 32.1 mt -120.89 155.4 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -147.85 175.98 10.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 p -63.85 96.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 t -163.12 -50.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' OG1' ' CD ' ' A' ' 59' ' ' LYS . 11.8 t -170.09 39.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -85.82 146.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 62' ' ' TYR . . . -127.33 164.92 20.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 4.5 t -120.49 148.06 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -151.39 134.83 16.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.623 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.79 -104.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.77 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 1.0 OUTLIER -167.37 168.85 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.631 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -107.74 149.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 4.9 m-85 -146.92 136.18 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.0 p -74.05 135.84 43.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -37.34 -62.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -34.15 -50.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.2 m -61.5 -58.16 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.281 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.59 -52.1 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.85 -25.21 75.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -69.32 -57.91 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -46.54 90.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -61.17 -39.15 89.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.63 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.95 5.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.56 157.67 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.07 -176.5 40.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.29 170.45 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.57 179.24 37.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 173.2 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.57 175.37 47.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.46 168.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.02 169.72 36.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.65 175.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.38 164.24 26.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.58 1.175 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.5 t -172.09 164.09 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.84 167.87 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p 178.01 159.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -172.06 165.04 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 177.58 166.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 176.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.97 171.4 36.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.43 170.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.07 169.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.96 176.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.77 160.69 15.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -172.37 169.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.51 168.05 3.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -172.93 167.3 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.47 167.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 179.64 170.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.41 156.53 8.71 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -178.48 166.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.19 167.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 170.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.82 94.98 0.11 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.6 p -132.08 177.82 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.12 99.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 p30 177.75 154.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.23 164.07 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p 178.19 160.25 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -179.19 158.92 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -178.77 159.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.64 162.8 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -176.24 164.69 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.09 149.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -165.8 152.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.78 166.79 35.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 174.27 158.93 19.66 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -175.19 144.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.64 -156.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.65 172.0 18.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -100.92 108.27 53.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -70.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.492 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.2 p -77.52 -33.05 54.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.12 -23.61 26.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.42 140.82 58.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.91 161.58 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 139' ' ' HIS . 89.2 t -134.31 123.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 126' ' ' TYR . 37.1 p90 -174.59 120.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 67.18 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.96 134.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.92 50.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.467 ' HG2' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -127.15 122.03 33.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.6 p -128.9 146.4 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.444 HD11 ' CD ' ' A' ' 130' ' ' LYS . 3.4 mp -124.05 116.08 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.33 140.99 9.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 48.49 56.26 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.85 36.47 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -139.57 163.11 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.609 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 50.1 m -121.74 148.72 44.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.674 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -166.48 171.94 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -71.24 123.94 23.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.476 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 3.0 tttm -67.25 73.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 3.2 t 162.82 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' PHE . 1.5 p -80.57 -28.03 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.331 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.586 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -34.18 100.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.99 155.37 20.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.7 t -75.49 126.65 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.246 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.01 34.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.56 -46.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.0 p -109.92 -21.5 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.22 18.51 69.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.55 133.1 37.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.81 120.86 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -94.72 -174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -166.47 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.8 p -76.37 174.27 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 5.8 m -72.75 61.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 167' ' ' LYS . 98.6 m -123.01 31.12 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.586 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -99.97 166.45 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.234 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.517 ' HB2' ' CG ' ' A' ' 170' ' ' TYR . . . -130.68 117.62 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 14.1 p-10 -95.45 89.36 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -124.71 139.63 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 46.43 61.55 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 39.12 36.4 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.511 ' CB ' ' CZ ' ' A' ' 165' ' ' TYR . 4.1 mm-40 -134.77 152.03 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.566 HG22 ' CZ2' ' A' ' 138' ' ' TRP . 1.4 pt -112.43 130.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 163' ' ' GLU . 34.7 m-85 -137.57 -177.08 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.5 p -96.23 147.77 23.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 156' ' ' THR . 0.0 OUTLIER -46.52 -41.49 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.2 -30.88 64.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -80.85 -47.33 13.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.517 ' CG ' ' HB2' ' A' ' 158' ' ' ALA . 2.1 t80 -58.26 -32.67 68.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.38 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 173' ' ' ASN . 5.7 mmtm -47.36 -60.92 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 172' ' ' LYS . 5.1 m120 -39.56 -38.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.2 m-85 -123.46 58.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.97 97.18 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.6 8.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.39 167.71 28.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.62 115.64 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -175.2 165.25 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 77.98 171.17 37.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -116.57 159.98 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -130.31 -66.82 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.28 141.58 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -156.84 -117.67 0.55 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 62.25 127.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -103.32 178.88 25.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -156.57 140.01 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -106.82 160.07 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.02 148.23 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -113.81 117.54 31.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.602 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 11.1 m -82.63 121.94 27.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.979 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.461 0.172 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.78 5.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.808 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -158.49 119.37 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -96.54 162.04 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.18 46.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.83 -173.92 45.14 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . -167.77 -146.47 4.94 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -87.34 177.73 7.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -125.74 110.69 14.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.5 t -69.29 107.78 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.92 4.61 60.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.84 -68.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -79.1 -25.62 43.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 8.7 tt0 86.44 27.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -119.76 145.95 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 134.56 48.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 31' ' ' HIS . 21.7 t -99.35 119.52 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CZ ' ' CB ' ' A' ' 20' ' ' ALA . 2.1 p90 -69.99 125.41 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' ' HA2' ' A' ' 7' ' ' GLY . 25.2 m-85 -37.8 105.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' CB ' ' CZ ' ' A' ' 18' ' ' TYR . . . -172.57 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -113.45 -74.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 43.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.617 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 69.5 t -78.37 117.09 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.85 162.4 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.15 164.81 20.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.14 111.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.95 55.13 1.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -179.04 168.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.23 127.5 1.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.8 OUTLIER -134.61 171.38 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 17' ' ' VAL . 56.9 m80 -64.96 172.19 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -59.86 3.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -62.01 -35.22 77.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 m -58.36 -43.44 88.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.617 ' CD2' ' CG1' ' A' ' 23' ' ' VAL . 4.6 t80 -67.26 78.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -135.11 133.14 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -42.6 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.331 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 mmt -77.25 7.14 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 47.9 t -103.18 -72.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -74.16 -25.51 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER 84.53 24.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.73 132.68 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -46.0 145.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 49' ' ' VAL . 12.4 mt -122.19 144.01 49.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -138.15 175.81 9.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -67.91 104.41 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -167.57 -48.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 48' ' ' THR . 5.6 t -171.92 45.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 44' ' ' LEU . 10.9 p -92.74 146.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.704 ' CB ' ' CE2' ' A' ' 62' ' ' TYR . . . -127.47 164.16 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.7 151.55 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' CB ' ' OH ' ' A' ' 62' ' ' TYR . 13.6 t-160 -176.82 145.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.02 56.14 7.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.35 41.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 9.8 mt-10 -141.9 171.95 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.609 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -124.09 135.2 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.691 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.5 m-85 -146.49 143.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 22.3 p -73.42 131.96 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -40.51 -52.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 58' ' ' CYS . 1.6 m -68.67 -55.55 11.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.704 ' CE2' ' CB ' ' A' ' 50' ' ' ALA . 3.9 m-85 -43.35 -51.25 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.41 80.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -61.97 -40.67 96.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -54.87 8.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 22.7 m-85 -57.44 -21.2 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.74 -178.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.48 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 166.32 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.61 179.38 16.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.4 166.08 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.81 -161.6 10.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.28 173.69 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.15 162.9 30.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.44 165.05 33.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.74 163.13 29.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.94 168.7 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.81 150.59 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -153.37 135.38 14.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tt -175.15 119.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.7 p -163.79 139.68 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 t -165.34 139.2 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.0 137.94 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.85 169.63 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.08 146.44 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -161.97 143.65 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 110.344 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -173.1 160.5 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.92 148.29 28.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.08 166.04 12.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 tp -171.95 115.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 148.47 42.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.37 146.4 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -168.02 134.95 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.31 132.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.4 158.02 29.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -140.91 139.74 34.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.72 150.35 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -173.01 145.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.28 94.48 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.08 23.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -146.52 138.26 24.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.82 154.85 39.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.98 38.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.07 160.93 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.74 82.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.71 123.26 17.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.45 141.7 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 147.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.2 97.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -162.97 116.08 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -177.19 -52.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.28 152.49 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.19 -169.36 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -103.47 96.32 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 p -140.1 164.85 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER 175.78 175.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -94.6 170.91 30.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 49.5 t -96.68 109.39 48.12 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.563 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -67.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.515 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -82.05 -38.15 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.04 23.44 8.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.2 136.42 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.47 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.73 147.71 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 139' ' ' HIS . 49.1 t -131.14 116.37 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.9 -51.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.62 -168.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.25 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.29 56.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 136.57 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.593 HG11 ' CD2' ' A' ' 143' ' ' PHE . 9.9 p -132.6 147.03 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.23 115.56 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.79 153.2 25.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 45.3 53.86 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 42.67 43.72 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.433 1.083 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -150.18 158.33 44.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.438 ' HB2' ' CB ' ' A' ' 116' ' ' ASP . 6.1 m -117.94 139.0 51.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.672 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -160.02 171.96 18.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 118' ' ' CYS . 44.6 m80 -74.94 127.93 34.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -18.49 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -76.76 -52.69 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.9 m -69.24 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.605 ' CE1' ' CD1' ' A' ' 164' ' ' ILE . 1.3 t80 -33.79 103.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 140.86 28.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.3 t -41.48 126.95 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.2 -46.56 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.3 p -110.07 -19.55 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.01 18.62 71.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 119.58 24.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 86.4 p -56.24 140.3 45.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 -175.0 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 178.84 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 176.31 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.9 t -73.19 58.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.411 HG23 ' NZ ' ' A' ' 167' ' ' LYS . 26.6 m -130.8 33.14 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 158' ' ' ALA . 0.7 OUTLIER -109.13 -178.56 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.514 ' HB3' ' CG ' ' A' ' 170' ' ' TYR . . . -145.13 117.23 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 12.9 p-10 -93.38 99.79 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.51 96.66 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 41.35 58.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 94.89 -49.53 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.1 mt-10 -52.23 158.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 143' ' ' PHE . 5.8 pt -133.83 133.21 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -144.4 -175.3 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.8 p -98.49 148.89 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 8.3 pttm -47.04 -39.53 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -60.01 -30.0 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.1 m -81.54 -48.15 12.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.551 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -58.35 -33.39 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.19 -62.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.8 OUTLIER -47.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 172' ' ' LYS . 7.9 m-20 -39.42 -38.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.6 m-85 -122.08 58.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.28 -147.33 21.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -166.7 62.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.45 49.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -164.44 95.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -65.29 -177.87 6.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -145.47 -52.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.744 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 110.64 160.03 17.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -143.67 152.8 41.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 0.783 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.04 -121.78 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.573 1.171 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 61.24 120.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 163.58 -144.07 9.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 74.13 -62.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 189' ' ' ILE . 0.1 OUTLIER 74.63 -65.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 188' ' ' LEU . 0.9 OUTLIER 49.34 -177.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -178.36 174.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.23 105.89 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.974 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.474 0.178 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.6 5.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -170.26 167.21 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -155.49 161.16 40.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 107.969 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.12 -157.46 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.46 -179.89 48.79 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.87 -178.09 45.41 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HD2' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -112.84 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.63 127.23 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.1 t -84.23 108.41 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.35 61.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.47 -68.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 24.6 p -77.82 -24.3 48.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.1 tm0? 83.7 26.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.31 144.89 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 156.89 15.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 31' ' ' HIS . 43.9 t -130.72 161.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -95.02 176.09 6.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -83.48 69.69 10.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.67 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.84 -44.15 96.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -40.42 124.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 35' ' ' PHE . 57.3 t -118.21 117.19 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.05 126.14 30.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.79 138.71 44.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.16 105.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.94 -56.02 0.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.77 177.53 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 87.5 p -113.49 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -132.58 164.67 26.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CD2' HG21 ' A' ' 17' ' ' VAL . 38.6 m80 -57.42 162.35 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -58.64 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.73 -30.11 71.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -57.82 -42.84 85.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -64.54 75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 41.9 t -42.07 114.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.29 13.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.1 t -112.62 -72.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 p -75.34 -20.6 58.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.339 179.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER 78.03 22.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 134.97 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' N ' HD13 ' A' ' 36' ' ' LEU . 13.6 m120 -60.78 142.48 55.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 2.9 mt -112.58 157.17 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.93 174.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.8 m -88.4 41.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -128.77 8.19 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG21 ' CE1' ' A' ' 35' ' ' PHE . 9.2 p -80.26 155.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . . . -139.59 164.46 29.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.01 173.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -162.51 169.71 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.608 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.71 100.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 43.73 52.47 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -163.95 162.24 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 3.0 pt -127.11 128.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.8 m-85 -136.21 154.18 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' LYS . 14.4 p -90.41 158.68 16.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -39.26 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.7 m -33.65 -68.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 m -41.98 -54.19 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 1.3 t80 -43.72 -64.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.22 -16.35 41.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -73.65 -52.51 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -53.83 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -61.44 -40.12 93.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.73 98.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.84 5.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.24 168.71 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.21 172.54 42.74 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.496 1.122 . . . . 0.0 111.055 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.75 176.72 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.02 168.29 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.47 176.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.38 175.71 47.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.57 170.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.39 177.82 45.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.01 175.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.42 169.47 42.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -172.38 147.06 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -168.45 152.65 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.25 162.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t -172.3 165.02 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 t70 177.17 163.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 175.63 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.73 152.23 5.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 179.29 169.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.5 p -177.9 169.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 175.21 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.7 158.84 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.6 tt -173.4 171.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 175.01 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -174.21 166.92 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.83 171.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -178.48 171.29 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.94 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.3 169.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -176.43 169.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.65 174.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.98 148.91 19.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.79 5.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -168.45 161.11 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -163.48 99.83 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.56 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -157.28 167.74 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -177.01 170.95 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -178.84 170.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.9 167.37 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.3 ptm -162.54 170.52 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.71 175.74 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -166.19 171.31 12.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -144.55 164.6 30.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 113' ' ' GLY . 69.1 t -147.81 137.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.407 ' N ' HG11 ' A' ' 112' ' ' VAL . . . -161.6 166.41 36.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 178.37 -159.34 24.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 m 66.96 138.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -167.26 -156.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -126.25 170.71 18.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.504 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 36.7 t -100.12 108.29 51.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 138' ' ' TRP . 18.5 Cg_endo -74.98 0.21 9.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -93.0 -69.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.505 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 14.1 p -77.33 -33.74 55.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.133 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.38 23.43 16.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -112.6 135.83 52.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.49 145.93 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' ' 118' ' ' CYS . 59.3 t -133.25 129.81 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.95 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -72.25 -168.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.47 147.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 72.88 56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.409 ' HG3' ' CG1' ' A' ' 125' ' ' VAL . 3.7 ttpt -129.51 101.05 5.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 143' ' ' PHE . 7.3 p -93.18 148.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.29 115.36 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.86 20.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 159' ' ' ASP . . . 45.49 57.03 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.99 42.05 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -146.01 162.05 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.2 OUTLIER -120.97 141.45 50.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 138' ' ' TRP . 0.0 OUTLIER -161.35 171.06 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.505 ' CE1' ' SG ' ' A' ' 121' ' ' CYS . 40.6 m80 -69.07 128.0 35.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -67.12 70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 139' ' ' HIS . 6.0 p 166.55 -50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.968 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.6 p -60.95 -27.6 68.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.05 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.59 137.09 45.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 34.0 t -64.32 128.74 37.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 35.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.512 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.9 OUTLIER -135.84 -46.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.3 p -109.58 -17.25 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 72.58 16.11 77.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.85 133.46 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 t -68.03 121.5 16.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.2 OUTLIER -88.99 -173.3 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.1 71.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.05 53.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.3 m -132.92 56.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 167' ' ' LYS . 94.8 m 49.44 91.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.477 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -99.66 127.83 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' A' ' 170' ' ' TYR . . . -84.47 154.16 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -131.29 95.34 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.62 99.58 11.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 13.8 m-20 38.57 70.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.08 -48.99 4.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 30.9 mm-40 -53.1 149.08 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.576 HD12 ' CE1' ' A' ' 143' ' ' PHE . 1.2 pt -127.25 134.67 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 42.7 m-85 -143.36 -177.01 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -96.85 144.13 27.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 156' ' ' THR . 2.0 pttt -46.11 -40.71 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.15 -31.37 65.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -80.39 -47.78 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' TYR . . . . . 0.524 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.7 t80 -57.77 -32.59 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.04 -63.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.3 -61.94 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.459 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 51.6 t-20 -38.76 -38.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.8 m-85 -123.73 58.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -92.82 -169.34 39.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.54 5.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.84 65.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.45 108.58 0.61 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 92.67 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 147.8 93.08 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -158.06 109.42 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -177.2 142.78 5.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.41 170.36 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 161.02 77.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -89.37 -61.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 76.45 168.65 27.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -118.84 150.83 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -124.34 68.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -42.81 119.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.83 117.04 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -58.59 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 35.7 t-80 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 102' ' ' ASN . 2.5 p-10 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -124.71 116.46 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 41.7 t -79.38 107.73 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.54 61.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.514 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.3 p -80.62 -19.99 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 79.43 27.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -118.45 149.96 40.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 138.15 45.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.012 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.8 t -104.86 145.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 158.91 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.15 96.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.0 -60.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' GLU . 42.6 mp0 -106.68 -77.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLU . 11.7 pt-20 38.38 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' HD2' ' A' ' 35' ' ' PHE . 40.7 t -78.96 117.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -76.17 145.6 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 77.2 m -147.82 156.21 42.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -40.46 116.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 39.33 52.82 2.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 175.59 172.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.4 p -161.67 132.8 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -137.46 167.63 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.012 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.3 m80 -60.44 168.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.0 tttm -60.48 -44.08 96.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.37 34.26 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 m -129.52 21.69 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 108.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.873 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -129.01 86.66 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -144.79 134.43 23.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.7 t -47.67 112.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 5.89 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.823 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.1 t -101.86 -73.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -72.44 -23.34 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.347 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 81.45 23.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.01 134.49 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -45.15 153.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.008 HD22 HG23 ' A' ' 49' ' ' VAL . 10.1 mt -117.37 174.11 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.21 166.41 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 94.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -167.33 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 48' ' ' THR . 14.9 t -166.9 59.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.008 HG23 HD22 ' A' ' 44' ' ' LEU . 4.2 p -110.49 159.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.063 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -151.88 163.3 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' C ' ' HH ' ' A' ' 62' ' ' TYR . 3.3 t -124.22 166.66 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -164.35 121.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.04 -107.05 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.25 43.33 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mp0 -148.87 164.21 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -131.38 135.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.823 ' CD1' HG23 ' A' ' 39' ' ' VAL . 9.0 m-85 -140.67 166.57 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.55 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.1 p -93.64 134.54 35.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CB ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -41.16 -55.98 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LYS . 47.8 t -38.65 -42.06 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.3 m -70.62 -57.95 4.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.063 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 6.0 m-85 -40.31 -51.37 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.72 79.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -39.42 81.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -53.84 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 23.4 m-85 -57.84 -18.71 23.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.88 151.24 5.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.53 161.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.6 p 177.81 144.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -173.89 150.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -177.95 85.31 0.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.56 42.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.2 t -172.63 144.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 26.6 p-10 177.6 99.85 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.96 154.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -179.46 155.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.98 153.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.64 152.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.76 -156.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -124.42 171.58 16.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.81 108.01 51.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.98 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.421 ' HA ' ' NH1' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -95.91 -71.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.464 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 23.1 p -76.56 -30.95 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.75 -23.29 31.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.18 143.24 57.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -62.61 160.2 14.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.715 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.7 t -133.07 119.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.6 t80 -153.34 138.68 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.16 -159.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.66 140.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.93 58.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -144.77 100.25 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.1 p -93.27 148.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.41 115.76 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.63 18.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.6 59.97 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.03 40.03 1.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -144.02 166.05 26.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -125.44 147.78 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.017 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.28 171.28 12.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.715 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.6 m80 -71.64 126.28 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 4.8 tttt -67.73 69.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.5 t 170.62 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.6 p -72.3 -30.65 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.953 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.57 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -121.4 148.09 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.555 ' N ' HD11 ' A' ' 152' ' ' LEU . 35.0 t -60.99 127.65 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.51 35.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 -46.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.11 -21.2 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.79 72.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.68 158.37 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.7 p -82.27 145.13 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.555 HD11 ' N ' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -134.05 -174.44 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 -64.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 156' ' ' THR . 0.6 OUTLIER -160.57 151.55 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 157' ' ' LEU . 69.3 m 67.85 -64.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' SER . 67.8 p -44.69 -26.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -73.37 146.51 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.886 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -127.64 118.88 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.689 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 38.8 p-10 -90.54 95.87 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -118.33 126.31 51.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 33.6 t0 55.25 27.67 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.83 -28.73 6.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -69.2 163.24 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.953 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -122.09 129.4 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 36.3 m-85 -138.04 -173.7 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.7 p -94.76 148.0 22.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -45.98 -42.18 12.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.08 -31.33 65.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 2.2 m -79.08 -46.62 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.469 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -57.75 -31.95 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.35 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 173' ' ' ASN . 60.2 mttm -47.92 -66.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.4 t-20 -38.35 -33.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' ALA . 81.3 m-85 -119.03 58.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.44 44.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -89.63 108.87 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.42 5.05 61.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.776 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -97.04 -67.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.7 p -78.91 -27.5 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 86.57 28.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -119.09 150.76 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 154.68 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.939 HG22 ' NE2' ' A' ' 31' ' ' HIS . 46.0 t -132.52 144.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -80.49 -179.84 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.8 m-85 -93.93 78.35 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 169.85 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 pt-20 -60.17 -37.04 78.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -39.21 130.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.4 t -122.14 118.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -80.51 136.86 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.407 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 3.8 t -141.5 139.48 33.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 105.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.75 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.4 176.91 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -113.58 132.07 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -127.63 170.99 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.939 ' NE2' HG22 ' A' ' 17' ' ' VAL . 49.3 m80 -58.2 171.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -71.06 -45.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.8 p -72.07 -35.55 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.42 -42.16 81.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.847 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.3 t80 -68.5 75.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -136.66 134.41 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.7 t -48.47 112.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 9.67 4.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.0 t -105.14 -68.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 13.1 p -78.57 -27.31 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.321 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 87.75 24.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.24 129.0 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -56.2 146.44 23.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 58' ' ' CYS . 14.9 mt -124.74 115.83 21.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.62 61.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.49 171.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' THR . 42.1 p -55.78 -165.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 48' ' ' THR . 2.1 m 62.71 12.62 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.0 p -100.81 148.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -129.81 162.85 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 52' ' ' HIS . 3.6 t -123.64 168.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.448 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.6 OUTLIER -165.65 108.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.48 -108.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.36 38.96 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 21.5 mm-40 -146.71 157.81 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -122.92 139.75 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.895 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.9 m-85 -144.52 142.56 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.764 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.8 p -75.67 137.63 40.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -44.66 -56.26 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.4 m -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 5.6 m -68.31 -56.52 8.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.893 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.4 m-85 -43.81 -51.06 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.87 -30.68 70.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.24 92.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.95 -60.37 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -56.58 -21.73 28.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.48 173.27 46.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.48 171.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.21 170.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.81 174.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 ttp-105 -178.99 94.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -170.86 165.58 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -173.48 99.71 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -173.76 159.6 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.92 171.05 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.2 p -177.37 169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.73 165.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -179.03 168.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.99 -154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.26 21.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.592 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 42.5 t -101.79 106.49 47.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.612 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 -0.04 9.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.69 -66.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 19.2 p -82.52 -38.47 23.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.36 -24.36 9.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.39 144.24 57.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -60.67 164.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.92 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -134.01 116.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -155.65 -58.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.03 -171.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.27 149.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 80.2 58.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -120.87 97.51 5.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 138' ' ' TRP . 3.8 p -90.64 151.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.5 mt -138.24 114.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.88 152.23 24.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.23 57.88 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.06 38.84 0.84 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.562 ' HE3' ' CH2' ' A' ' 138' ' ' TRP . 0.4 OUTLIER -142.73 161.54 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.426 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -121.27 142.03 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.803 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.6 -175.94 5.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.92 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -81.36 139.68 35.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -78.22 50.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 p -158.21 -43.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 1.7 m -81.83 -29.06 32.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.171 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.6 t80 -52.75 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 0.5 OUTLIER -125.74 159.9 31.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 11.8 t -63.19 130.86 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.52 38.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -141.38 -47.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.08 -21.85 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.75 86.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -60.75 126.94 29.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.465 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 30.7 t -68.7 141.11 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.86 -174.01 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -154.06 -58.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 p 167.06 78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 156' ' ' THR . 32.8 p -141.32 -63.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 155' ' ' THR . 61.2 p -151.74 70.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -102.16 139.07 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -95.25 152.95 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.649 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.7 OUTLIER -130.45 100.47 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 174' ' ' PHE . 0.4 OUTLIER -94.88 89.51 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 37.67 69.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 95.64 -52.32 1.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -56.25 151.27 12.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.171 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -131.73 132.54 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 59.9 m-85 -141.23 -178.51 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 169' ' ' CYS . 27.1 p -94.76 145.99 24.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -46.74 -40.71 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.45 63.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.9 m -81.76 -47.58 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.51 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 2.2 t80 -57.96 -32.29 67.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.55 -63.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 173' ' ' ASN . 33.9 mttp -46.78 -61.99 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.497 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 59.3 t-20 -39.21 -39.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 160' ' ' LYS . 1.5 m-85 -121.2 60.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -130.98 119.15 21.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -79.58 106.54 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.9 4.12 62.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.52 -68.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.613 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.04 -23.82 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.74 27.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.663 ' NZ ' ' H ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -117.72 149.81 40.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' H ' ' NZ ' ' A' ' 15' ' ' LYS . . . -69.23 145.73 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.009 HG22 ' NE2' ' A' ' 31' ' ' HIS . 48.4 t -115.1 158.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.14 131.09 41.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.97 101.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . -179.83 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -143.67 49.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.09 150.26 23.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 45.3 t -127.8 123.05 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -104.01 146.35 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.94 135.51 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.45 104.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.74 -55.52 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -154.11 172.88 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.16 134.38 51.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -132.06 164.93 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.009 ' NE2' HG22 ' A' ' 17' ' ' VAL . 66.7 m80 -57.49 160.21 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.2 tttp -57.07 -38.11 72.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.99 20.45 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 16.6 m -120.72 28.2 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.976 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.2 t80 -124.97 68.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -134.57 134.51 41.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.6 t -47.95 113.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 9.27 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -103.68 -67.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -79.85 -26.42 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 5.1 tttt 87.28 23.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 129.82 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.611 ' OD1' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.72 146.88 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 49' ' ' VAL . 18.2 mt -124.84 156.76 37.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -153.88 78.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.9 m 55.03 167.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 48' ' ' THR . 26.9 m 62.61 109.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 47' ' ' THR . 1.9 m 84.46 -45.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.976 HG21 ' CE1' ' A' ' 35' ' ' PHE . 12.3 p -49.09 144.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -132.49 166.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.68 147.25 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 32.8 t-80 -155.83 122.1 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.53 -101.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -129.49 52.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -165.9 160.03 16.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -110.67 142.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.953 ' CD1' HG23 ' A' ' 39' ' ' VAL . 24.6 m-85 -146.29 129.02 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.7 p -65.13 143.56 57.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 108.269 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.11 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -30.36 -58.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.5 m -50.59 -60.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -41.54 -61.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.85 -21.65 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -76.8 -38.75 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -57.96 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -63.98 -45.79 87.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.56 156.96 8.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.36 167.13 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 165.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 174.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 93.85 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.88 6.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -171.58 161.66 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.6 t30 179.7 99.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -162.54 167.65 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.47 175.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.8 p 178.57 169.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 168.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ttp -178.9 162.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 125' ' ' VAL . 1.3 m-20 179.17 175.58 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -96.81 171.46 27.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 40.8 t -98.17 108.96 49.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 18.2 Cg_endo -75.06 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -94.58 -69.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.6 p -80.04 -34.99 37.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.27 22.99 11.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 137.95 46.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.41 148.25 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.851 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.7 t -129.72 116.03 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.612 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.9 p90 -178.02 129.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 77.59 93.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 61.65 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.66 48.11 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.48 ' CB ' HG12 ' A' ' 125' ' ' VAL . 3.7 pttp -135.73 118.0 15.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.009 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -114.52 146.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -125.45 115.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.47 152.21 24.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 49.59 40.93 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.46 41.05 71.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.3 OUTLIER -148.42 159.94 43.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.478 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -116.12 138.91 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.009 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.8 173.76 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.851 ' NE2' HG22 ' A' ' 125' ' ' VAL . 35.3 m80 -80.11 117.82 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.643 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 153' ' ' GLU . 0.7 OUTLIER -43.68 -27.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -66.65 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' A' ' 118' ' ' CYS . 26.7 p -61.91 -45.71 92.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.955 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -47.42 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 21.5 ptt85 -144.09 144.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.496 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.5 t -41.82 129.24 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.19 33.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -135.32 -46.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.6 p -110.11 -18.02 13.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.9 0.03 89.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 121.96 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 36.7 t -60.15 144.23 50.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -113.68 -175.04 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 140' ' ' LYS . 1.8 mt-10 -143.74 -68.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.3 p 168.62 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 m -157.73 -58.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 10.1 t -105.25 43.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.935 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -102.71 144.84 30.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.935 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.41 119.61 27.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -97.8 105.38 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.71 91.86 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 160' ' ' LYS . 50.2 m-20 40.56 58.87 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.75 -51.49 0.98 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.538 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 3.5 mt-10 -53.96 161.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.955 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.0 pt -135.62 131.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 60.7 m-85 -144.78 -175.12 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.0 p -99.28 149.11 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -46.62 -42.88 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.33 -29.8 60.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 3.6 m -83.23 -47.32 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.484 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.4 t80 -57.59 -31.45 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.88 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 38.5 mttt -48.06 -65.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.1 t30 -38.54 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 171' ' ' ALA . 80.2 m-85 -120.39 58.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -135.28 118.74 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 38.5 t -73.9 107.98 6.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.46 61.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.03 -67.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.4 p -78.56 -25.61 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 108.27 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.3 tp-100 85.99 27.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -119.13 145.25 46.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.12 12.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.005 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.8 t -126.99 158.58 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -132.71 131.69 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.8 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.2 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -144.74 50.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 32.7 tt0 -105.54 148.03 27.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 60.2 t -124.17 118.65 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.6 pt20 -107.55 136.54 47.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.17 145.2 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 116.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.44 -53.89 0.64 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -167.04 173.2 9.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 95.0 p -125.55 135.64 52.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.704 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -127.12 163.43 23.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.005 ' NE2' HG22 ' A' ' 17' ' ' VAL . 44.6 m80 -61.12 143.6 55.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -42.34 -55.8 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.18 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 m -62.02 -45.93 91.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 6.1 t80 -64.46 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.763 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -134.74 139.72 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -51.45 113.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.7 mmt -78.77 10.97 2.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.88 HG23 ' CD1' ' A' ' 57' ' ' TYR . 38.6 t -107.13 -69.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.5 p -78.05 -27.46 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 87.52 25.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -102.2 125.35 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.2 t30 -59.53 148.92 31.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 49' ' ' VAL . 2.1 mt -128.43 164.39 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -116.78 -80.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.513 ' C ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER 175.42 94.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 46' ' ' SER . 33.7 p -157.0 -54.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 48' ' ' THR . 14.5 t -143.95 47.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.1 p -100.89 150.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -124.39 164.41 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.38 158.6 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 1.8 t-80 -153.12 110.4 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.22 -98.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.73 46.38 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -151.97 166.67 30.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.763 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -126.14 138.38 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.88 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.7 m-85 -143.33 141.22 30.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.623 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.2 p -73.5 137.17 44.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.91 -62.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -33.61 -52.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.3 m -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.696 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.18 -54.2 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.86 -21.82 71.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' CYS . 2.5 mtmt -76.37 -35.31 58.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -73.7 -60.61 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -64.72 -48.37 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.09 156.88 10.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.89 168.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 170.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 174.28 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -171.86 95.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 t -170.42 160.07 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -169.92 131.55 1.0 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.82 5.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -153.58 166.88 31.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.31 173.71 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -177.55 170.38 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.51 168.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -164.03 -153.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.44 172.76 21.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.6 t -101.49 107.53 51.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.97 1.19 8.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -70.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 18.6 p -77.66 -29.45 51.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 108.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.61 22.94 27.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.55 135.98 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -49.88 152.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.84 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -133.24 123.69 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -166.39 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . -110.21 119.78 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.31 132.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.11 54.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -122.18 112.93 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -133.06 148.44 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -128.52 115.09 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.62 149.96 22.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.554 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 49.44 49.03 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.0 36.63 21.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.5 OUTLIER -141.37 163.77 32.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.435 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 2.1 p -123.96 139.57 53.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.984 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -163.48 174.85 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.84 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.7 m80 -78.07 121.44 24.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -48.12 -23.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -71.6 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.64 -45.19 93.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.152 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.4 t80 -46.09 98.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 8.5 ptt85 -140.97 156.13 46.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.3 t -52.33 127.95 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.43 35.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -46.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.04 -21.46 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.46 19.52 64.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.29 118.16 24.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 79.1 p -55.85 140.02 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.43 -173.92 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.15 -49.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t 179.38 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.041 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.0 m -84.71 160.21 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 156' ' ' THR . 19.9 m 62.81 25.43 15.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -116.45 132.9 56.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.826 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -94.79 142.74 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.554 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -130.18 98.82 4.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 78.51 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.64 -77.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -115.99 -27.21 3.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.8 mp0 -77.3 156.92 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.152 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.9 pt -133.21 139.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 45.8 m-85 -148.95 -174.39 4.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.7 p -100.94 143.02 31.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -46.16 -40.64 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.47 -30.93 59.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 10.2 m -83.8 -49.06 9.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.3 t80 -54.87 -30.88 58.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.18 -63.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 7.0 mmtm -48.34 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.3 t30 -39.67 -30.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -115.02 54.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.58 115.2 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 43.1 t -69.91 107.76 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.67 1.07 63.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.9 t -92.74 -72.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.631 ' N ' HG12 ' A' ' 12' ' ' VAL . 15.1 p -72.84 -27.22 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 88.16 21.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -102.65 -175.57 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.88 125.85 54.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.053 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.3 t -94.47 118.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -97.17 -62.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.73 104.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.52 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 32' ' ' LYS . 6.3 pt-20 -169.1 61.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.02 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 35' ' ' PHE . 48.1 t -118.35 117.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.7 pp0? -101.93 140.44 36.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.88 134.56 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.1 105.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.39 -56.28 0.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -153.62 171.65 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 90.0 p -135.61 140.27 44.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.673 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -136.93 166.74 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.053 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -65.11 140.2 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -40.25 -54.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -44.14 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.766 ' HB3' HG11 ' A' ' 12' ' ' VAL . 72.6 m -59.19 -45.24 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.83 ' HE1' HG21 ' A' ' 49' ' ' VAL . 7.3 t80 -61.8 88.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -139.39 134.06 31.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.6 t -44.53 112.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.57 6.31 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.4 t -101.73 -72.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 12.1 p -73.39 -25.04 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 tptm 83.34 24.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.49 136.89 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.6 p-10 -45.45 145.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.5 mt -128.0 156.28 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.4 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -75.54 60.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 48' ' ' THR . 2.3 m -158.47 126.13 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 47' ' ' THR . 9.4 t 45.41 38.13 3.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG21 ' HE1' ' A' ' 35' ' ' PHE . 4.1 p -110.2 156.01 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -142.54 164.23 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.1 t -121.88 157.21 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 177.49 153.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 45.11 55.2 6.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER 39.35 43.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -149.63 173.9 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -114.93 137.54 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.881 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.1 m-85 -143.46 141.9 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.779 ' HB3' HD21 ' A' ' 44' ' ' LEU . 30.0 p -71.02 146.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -38.13 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 48.1 m -32.73 -69.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' LYS . 38.7 m -41.78 -54.07 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.22 -56.02 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.62 -18.25 67.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -76.0 -50.65 14.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.81 -48.16 75.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.2 m-85 -65.73 -48.55 71.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.02 160.12 32.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -148.99 137.61 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 147.9 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.56 173.57 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.37 88.33 0.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -144.34 142.58 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -147.11 132.66 9.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.34 7.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -169.72 120.39 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.0 140.84 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -159.85 150.53 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.84 148.59 28.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtp -118.0 149.13 41.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER -178.26 171.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -95.28 170.17 28.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.4 t -96.91 109.97 51.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.577 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -93.17 -69.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -81.81 -35.21 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.64 -27.4 10.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.09 143.32 48.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -64.12 157.27 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.831 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.5 t -131.52 116.04 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 127' ' ' ALA . 20.5 p90 -154.26 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 126' ' ' TYR . . . -85.56 -168.52 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.22 156.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 69.13 54.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.53 ' CG ' HG12 ' A' ' 125' ' ' VAL . 17.2 ttpt -130.87 132.88 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.987 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.23 147.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.3 mt -126.78 115.86 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.34 154.98 25.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.83 49.26 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.65 40.47 11.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.56 165.58 29.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.96 138.03 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.987 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.98 172.53 18.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.831 ' NE2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -79.4 119.98 23.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -43.77 -27.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -68.38 -55.12 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 144' ' ' ARG . 4.7 m -67.35 -56.95 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.1 t80 -34.53 95.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -133.93 148.54 51.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.608 ' HB2' HD21 ' A' ' 152' ' ' LEU . 33.0 t -54.97 129.08 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -136.12 -47.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.64 -21.47 12.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.16 76.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.36 156.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 p -90.15 133.82 34.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -103.07 -175.0 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.3 52.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.582 ' O ' HD23 ' A' ' 157' ' ' LEU . 0.2 OUTLIER 76.14 -57.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 15.0 t -80.42 159.44 25.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 156' ' ' THR . 60.5 m 54.43 32.14 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -114.05 160.74 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.82 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -136.46 124.25 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 3.2 p-10 -104.1 102.04 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.99 90.93 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.9 t70 39.63 64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.37 -50.89 1.62 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.7 mp0 -54.9 156.33 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.614 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.6 pt -133.08 129.71 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 58.8 m-85 -141.74 -174.5 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -99.64 147.53 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -42.32 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.07 -30.76 60.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.3 m -82.2 -47.57 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.468 ' HB2' ' CB ' ' A' ' 158' ' ' ALA . 2.3 t80 -57.11 -31.71 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.75 -64.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 10.3 mmtp -48.63 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.0 t30 -39.04 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' N ' ' C ' ' A' ' 172' ' ' LYS . 76.6 m-85 -118.02 56.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 35.7 t-80 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 102' ' ' ASN . 2.5 p-10 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -133.77 117.19 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.2 t -78.52 107.31 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.94 7.42 55.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -98.37 -66.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.524 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.2 p -82.14 -23.69 35.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tt0 84.47 28.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 149.62 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 153.85 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 31' ' ' HIS . 96.9 t -117.67 157.12 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -164.71 179.9 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.68 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.55 -17.44 62.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 23' ' ' VAL . 11.8 pt-20 -56.91 -33.26 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.12 125.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.859 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.3 t -109.82 116.83 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 7.3 pt20 -100.48 166.53 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.555 ' HB3' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -170.22 159.17 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.33 117.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.15 51.79 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 166.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.439 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 81.1 p 178.65 132.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -135.9 179.72 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 17' ' ' VAL . 49.4 m80 -72.18 160.88 31.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CD ' ' HB2' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -59.76 -46.0 90.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -68.72 -31.68 70.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.28 -52.98 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.344 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.859 ' CD2' HG11 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -39.47 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -157.73 147.51 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 49.3 t -67.09 114.39 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 7.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.3 t -101.85 -67.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -79.4 -23.33 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.0 24.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -100.69 129.81 46.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.9 m120 -41.11 148.62 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.946 HD22 HG23 ' A' ' 49' ' ' VAL . 12.5 mt -114.33 143.95 44.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.61 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.4 p -44.68 168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 47' ' ' THR . 8.1 t -83.42 67.98 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' LYS . 5.0 t -176.35 48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.946 HG23 HD22 ' A' ' 44' ' ' LEU . 5.0 p -108.68 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -165.58 163.88 19.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 25' ' ' CYS . 4.0 t -121.7 162.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -147.34 143.6 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.624 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 70.99 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 163.16 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.94 -179.34 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.824 HD11 ' CE1' ' A' ' 35' ' ' PHE . 3.2 tt -107.63 143.71 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.8 m-85 -139.93 171.2 14.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.636 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.7 p -107.15 148.64 28.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.29 -66.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 59' ' ' LYS . 35.9 t -30.26 -71.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.6 m -43.18 -55.06 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.284 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.8 t80 -44.65 -55.88 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.14 -18.17 64.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -77.41 -54.27 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.779 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 4.4 m-85 -66.46 -48.83 68.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.67 141.1 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -177.61 148.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 146.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -175.64 158.18 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.79 18.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.68 28.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -123.26 169.13 11.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -167.12 99.85 0.64 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -151.72 164.97 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.75 139.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -152.18 155.06 37.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -179.46 145.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.45 151.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -158.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.43 171.35 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -98.11 108.22 45.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.524 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -3.59 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.88 -42.56 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.59 -24.83 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.15 161.45 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 139' ' ' HIS . 64.3 t -133.33 116.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.7 p90 -160.51 128.94 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 73.29 -155.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.04 134.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.0 61.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -148.95 95.32 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -90.79 147.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.82 116.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.93 155.67 26.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.42 48.97 16.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.37 41.82 12.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 170.1 18.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 13.1 m -126.69 138.77 53.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.961 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.56 171.45 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -73.1 128.27 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.595 ' NZ ' HG23 ' A' ' 131' ' ' VAL . 1.4 ttmm -56.2 -17.31 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -51.33 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.6 m -68.73 -58.74 3.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.082 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.2 t80 -30.32 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -140.92 147.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.3 t -45.87 126.17 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.35 33.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -133.98 -46.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 16.5 p -110.22 -23.32 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.46 22.38 56.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 111.76 21.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.9 m -53.29 135.35 38.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -106.33 -175.69 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.0 OUTLIER 163.48 -60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.8 p -51.33 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 156' ' ' THR . 14.5 t -174.26 -142.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 155' ' ' THR . 82.6 p 42.65 53.5 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -120.25 131.74 55.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.745 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -95.88 150.06 20.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -130.6 99.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.3 OUTLIER -96.2 89.34 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 4.4 m-20 38.41 79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.51 -47.34 3.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 24.6 mt-10 -59.99 148.33 35.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.082 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -131.88 131.41 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.2 m-85 -141.28 -176.81 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 169' ' ' CYS . 20.3 p -100.77 145.59 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 108.346 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -43.09 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.469 ' O ' ' CD ' ' A' ' 172' ' ' LYS . . . -55.26 -33.01 57.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.4 m -82.03 -48.17 11.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.604 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 3.8 t80 -54.77 -30.23 56.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -84.12 -60.31 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 168' ' ' GLY . 1.4 mptt -47.87 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 1.7 t30 -39.88 -29.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 6.7 m-85 -113.72 55.43 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 117.13 23.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . 49.0 t -82.02 106.19 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.47 5.24 61.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.67 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.6 t -94.24 -67.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.562 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.9 p -81.45 -25.28 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 85.05 29.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 164.18 15.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.32 147.27 31.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.2 t -122.13 165.95 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.466 ' N ' HG12 ' A' ' 17' ' ' VAL . 28.3 t80 -95.27 162.39 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 50.8 t80 -83.81 69.42 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.46 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -33.15 75.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.7 pt-20 -38.95 131.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' SER . 6.1 t -113.36 119.75 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -106.78 160.36 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -172.41 132.71 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER 60.21 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.41 28.98 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.6 m -137.34 169.09 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 89.7 p -152.15 127.3 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -139.95 164.11 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.876 ' CD2' HG22 ' A' ' 17' ' ' VAL . 78.0 m80 -50.39 160.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -78.76 55.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -173.0 -46.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.67 ' HB3' HG11 ' A' ' 12' ' ' VAL . 56.6 m -53.85 -27.98 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.367 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.859 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -62.94 79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -137.85 132.94 33.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 41.9 t -44.04 114.86 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.83 13.4 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.775 HG23 ' CD1' ' A' ' 57' ' ' TYR . 21.3 t -111.34 -71.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -76.07 -26.78 56.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.781 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.6 tttt 85.86 24.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.02 129.29 46.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.446 ' N ' HD12 ' A' ' 36' ' ' LEU . 27.3 p-10 -60.69 146.42 45.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -118.07 156.15 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 -69.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.08 115.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.67 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 8.9 t -141.27 42.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.859 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.3 p -88.36 146.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -126.72 164.12 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 ' HB2' ' A' ' 26' ' ' GLU . 4.3 t -121.21 162.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 4.2 t-80 -161.82 123.26 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.3 -120.27 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.6 53.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -166.0 162.91 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.549 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -124.86 140.51 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.775 ' CD1' HG23 ' A' ' 39' ' ' VAL . 13.1 m-85 -139.67 147.48 41.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.5 p -80.77 139.14 36.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.41 -61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -34.57 -50.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 13.0 m -60.93 -55.77 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.24 -49.74 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.49 79.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -73.45 -38.45 65.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -76.8 -64.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.1 -32.3 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.85 -176.39 40.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.93 171.08 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 p -172.69 169.95 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -170.35 174.66 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -166.08 148.81 6.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.43 4.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -169.01 165.6 11.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.42 99.84 0.29 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.3 p30 177.77 155.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.28 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.8 p -179.14 167.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 177.96 152.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -167.45 168.31 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.7 -154.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -130.35 171.5 20.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.5 t -101.35 107.79 52.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.4 Cg_endo -74.99 0.75 8.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 21.3 p -78.3 -32.21 49.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.249 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.79 -22.89 29.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.04 140.37 58.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.67 163.35 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 72.4 t -134.61 126.85 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -131.39 179.68 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -57.87 100.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 165.41 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER -148.33 52.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -107.34 131.58 54.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.19 140.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 115.9 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.17 143.5 11.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.65 36.92 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.0 40.73 95.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -148.37 164.87 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.615 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.5 OUTLIER -110.26 143.14 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.24 168.14 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.4 m80 -70.87 119.55 15.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.0 OUTLIER -64.85 76.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER 156.08 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -90.0 -24.83 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.37 101.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 149' ' ' GLY . 6.4 mtm180 -117.65 149.48 40.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.9 t -65.18 129.14 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.77 34.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 -47.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.4 p -110.67 -18.57 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLY . . . . . 0.444 ' O ' ' CZ ' ' A' ' 144' ' ' ARG . . . 88.14 -5.7 84.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 149' ' ' GLY . 13.6 tttt -46.7 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.56 114.27 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -112.54 169.73 8.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 154' ' ' SER . 0.1 OUTLIER 166.26 47.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 153' ' ' GLU . 3.4 t 163.56 101.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 154' ' ' SER . 20.6 m 36.64 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 152' ' ' LEU . 0.6 OUTLIER 177.94 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.9 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -62.64 144.17 56.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.9 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -128.88 120.8 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -89.62 98.09 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -109.42 111.32 22.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 50.05 43.27 25.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.58 -37.54 3.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 8.1 mm-40 -59.08 160.78 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.862 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -125.55 131.53 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 38.0 m-85 -142.24 -174.19 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 22.8 p -100.27 147.26 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.34 -43.96 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.21 -33.49 57.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.59 -46.7 16.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -81.7 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.8 mmmt -45.27 -58.24 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.2 m120 -38.36 -44.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 160' ' ' LYS . 2.9 m-85 -135.14 64.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -130.83 126.68 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -83.07 108.64 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.68 4.36 60.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.145 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.765 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.64 -68.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.536 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.4 p -77.8 -23.29 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 82.75 26.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -119.67 147.71 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.9 152.6 44.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.023 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.5 t -127.99 158.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -96.37 169.17 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -83.21 81.86 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.32 -60.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 pt-20 -77.48 -35.6 53.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 -38.84 124.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.8 t -116.41 118.21 58.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.5 mt-30 -91.19 143.08 27.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.74 135.96 25.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -39.01 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.31 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HG ' ' HE1' ' A' ' 30' ' ' PHE . 3.1 p -156.5 174.68 15.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 85.9 p -128.29 143.25 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.765 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.3 m-85 -138.71 173.03 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.023 ' NE2' HG22 ' A' ' 17' ' ' VAL . 43.9 m80 -57.51 170.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -57.4 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -29.53 69.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.1 -40.89 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -69.51 72.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 56' ' ' ILE . 1.2 tt -138.62 132.2 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.658 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -44.78 113.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -80.06 8.71 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.053 HG23 ' CD1' ' A' ' 57' ' ' TYR . 53.7 t -102.33 -66.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 19.4 p -81.23 -28.04 34.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.344 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 88.35 27.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 130.3 50.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 36' ' ' LEU . 5.1 t30 -56.27 143.93 32.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 HD11 ' A' ' 56' ' ' ILE . 44.2 mt -125.31 131.37 53.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.78 -70.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -163.5 167.46 21.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.5 OUTLIER 61.04 134.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 59' ' ' LYS . 2.1 m 83.76 -43.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.845 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.4 p -61.18 138.92 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.18 164.8 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.21 138.86 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -140.73 130.0 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.05 -97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -137.25 52.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -158.76 160.69 36.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.724 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.33 143.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.053 ' CD1' HG23 ' A' ' 39' ' ' VAL . 50.7 m-85 -147.79 174.56 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.5 p -101.07 140.4 35.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.5 OUTLIER -36.81 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 59' ' ' LYS . 31.5 t -30.09 -70.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 36.4 m -41.53 -56.08 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.2 t80 -45.54 -53.98 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -17.88 65.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -78.18 -53.41 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -46.6 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 10.0 m-85 -66.89 -49.59 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -163.19 135.15 3.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.92 161.41 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.55 168.87 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 99' ' ' ARG . 83.4 t60 -176.92 167.13 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' N ' ' CG ' ' A' ' 98' ' ' HIS . 1.3 ptt180 -172.22 148.86 2.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.93 5.45 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -172.4 136.4 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -161.26 125.03 1.94 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.19 4.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.44 136.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.39 146.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.8 p -179.17 143.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.96 144.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 148.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -154.41 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.37 171.93 22.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 38.2 t -98.38 109.48 52.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -69.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -80.98 -35.17 32.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.5 -27.42 10.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.18 141.06 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.94 161.87 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.861 HG22 ' CD2' ' A' ' 139' ' ' HIS . 94.1 t -135.83 120.39 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.05 -53.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.0 -167.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.39 149.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.34 56.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.655 ' HG3' HG12 ' A' ' 125' ' ' VAL . 0.9 OUTLIER -126.21 93.45 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -91.83 148.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 38.7 mm -127.94 115.5 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.89 156.12 26.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.95 50.79 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.62 43.61 6.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.69 168.46 23.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 132' ' ' ILE . 12.2 t -124.6 138.93 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.943 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.25 172.15 19.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.861 ' CD2' HG22 ' A' ' 125' ' ' VAL . 37.3 m80 -75.41 125.24 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -53.1 -20.31 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 12.0 p -77.4 -46.58 22.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 143' ' ' PHE . 21.3 m -72.27 -61.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -32.67 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -134.88 145.84 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 152' ' ' LEU . 46.6 t -45.93 123.73 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 165' ' ' TYR . . . -89.25 31.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 2.7 tptp -131.15 -45.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.2 p -109.97 -22.05 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.27 19.84 61.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 114.4 25.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 59.8 p -51.01 134.08 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -99.35 -172.98 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.44 -59.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 t -176.47 147.37 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 156' ' ' THR . 99.2 m 64.11 172.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 155' ' ' THR . 15.1 t 46.94 30.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.1 OUTLIER -112.97 133.36 54.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.619 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -96.99 100.29 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -85.68 97.31 10.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 162' ' ' GLY . 8.9 tptm -89.77 96.54 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.87 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -116.58 -31.16 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -75.37 162.88 28.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 0.804 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -139.82 134.23 37.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 146' ' ' ALA . 31.4 m-85 -135.34 -174.32 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 169' ' ' CYS . 19.0 p -98.36 143.45 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 -40.96 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.79 -31.28 57.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.9 m -82.8 -47.58 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 4.1 t80 -56.29 -30.5 62.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.17 -65.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -48.54 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 29.7 t-20 -39.02 -31.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 172' ' ' LYS . 70.5 m-85 -117.52 56.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -125.1 114.16 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HB ' ' A' ' 12' ' ' VAL . 46.4 t -73.06 107.55 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.06 61.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.522 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.4 p -80.78 -23.94 38.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.253 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 85.06 27.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -118.23 144.87 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 134.55 42.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.051 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.5 t -101.17 146.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -92.55 -57.47 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER 178.81 162.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 76.07 -57.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.0 tt0 -62.93 -45.34 92.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -47.3 120.79 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 21' ' ' GLU . 43.6 t -124.24 117.78 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.82 157.02 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.573 ' SG ' HG22 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.16 83.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 38.72 62.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.37 -50.73 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 m -68.13 173.48 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.036 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 5.6 t -160.84 128.28 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -141.75 163.8 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.051 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -60.51 144.39 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -47.51 -44.46 25.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -69.03 -35.63 76.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.563 ' HB3' HG11 ' A' ' 12' ' ' VAL . 23.0 m -63.67 -51.93 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.798 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -58.83 95.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.665 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -146.32 134.61 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 39' ' ' VAL . 48.8 t -50.85 111.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 3.09 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.8 t -97.11 -73.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -72.47 -21.6 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 79.27 22.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -100.29 135.72 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-80 -47.09 145.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.897 HD13 ' CG2' ' A' ' 49' ' ' VAL . 8.2 mt -126.96 103.16 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -161.07 86.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -176.43 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -174.08 174.18 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 48' ' ' THR . 8.9 m 62.66 52.93 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.897 ' CG2' HD13 ' A' ' 44' ' ' LEU . 1.5 p -119.03 174.72 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -153.96 164.76 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.573 HG22 ' SG ' ' A' ' 25' ' ' CYS . 4.3 t -120.01 171.17 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.531 ' H ' HG12 ' A' ' 51' ' ' VAL . 54.0 t60 -165.54 102.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.27 -107.62 0.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -113.12 43.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -153.15 160.25 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -125.52 137.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.902 ' CD1' HG23 ' A' ' 39' ' ' VAL . 16.2 m-85 -140.59 148.5 41.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HB3' HD21 ' A' ' 44' ' ' LEU . 24.8 p -78.04 149.28 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' HB3' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.45 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 59' ' ' LYS . 46.5 t -31.54 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 31.8 m -41.35 -59.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.42 -52.99 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.74 -23.08 66.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -75.61 -46.53 31.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -62.72 -48.36 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.03 -47.82 70.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.28 172.05 44.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 165.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -178.0 170.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -175.61 174.42 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.571 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.42 94.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.93 5.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -138.82 178.02 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -143.52 132.68 11.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.06 6.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -139.75 166.45 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.78 174.87 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.57 169.49 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.64 167.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.0 ptp -170.82 167.17 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.42 -158.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.38 171.5 21.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 139' ' ' HIS . 49.1 t -101.8 106.46 47.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.58 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -1.0 10.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.774 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -88.14 -65.77 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.481 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 22.6 p -84.87 -39.83 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.56 -27.58 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.53 145.87 47.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.41 163.2 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 139' ' ' HIS . 97.7 t -133.54 124.05 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 7.0 p90 -127.54 -51.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -169.32 -173.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 77.34 -56.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.1 tt0 -134.28 44.53 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 153.03 20.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.1 p -146.29 145.85 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.82 115.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.95 151.94 23.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 48.99 53.96 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.22 39.46 1.58 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 162.33 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 0.735 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.586 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 31.0 t -116.08 149.98 38.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.934 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.24 -176.21 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.925 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.3 m80 -81.48 143.5 32.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -80.87 44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 t -150.99 -46.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.95 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.85 -36.99 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.8 OUTLIER -46.71 98.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.411 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 3.5 ptt180 -141.63 155.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.2 t -51.42 126.97 18.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.42 34.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -134.81 -46.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.04 -21.69 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.85 61.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -76.99 122.67 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.411 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -65.95 127.44 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.95 -172.51 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.82 -57.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.3 t 176.76 57.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.9 p -116.93 -76.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 167' ' ' LYS . 11.5 m -153.88 74.64 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -98.82 145.58 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.773 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.73 153.71 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.6 p-10 -129.45 97.67 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.32 98.31 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.7 OUTLIER 38.51 69.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.74 -49.51 4.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 37.0 mm-40 -52.47 149.69 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.006 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.4 pt -129.44 130.0 67.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.5 m-85 -139.02 -174.92 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.9 p -100.56 147.99 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 156' ' ' THR . 8.9 tttm -46.0 -42.83 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.44 -30.71 62.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -81.68 -48.04 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.9 t80 -57.18 -32.38 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.84 -61.03 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 9.7 mmtt -47.18 -60.98 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 5.2 m-80 -39.31 -39.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -124.62 61.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 116.57 21.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.2 t -78.62 106.32 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.68 5.24 61.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.7 t -94.29 -66.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.55 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.88 -24.25 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 84.87 28.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -111.2 179.0 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.07 140.03 31.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.982 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.9 t -111.96 158.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -125.39 -63.04 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.52 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -40.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 2.0 pt-20 -138.63 47.0 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 116.66 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 45.5 t -120.78 118.6 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.21 144.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.15 134.42 21.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -38.91 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.68 -56.37 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 t -151.09 171.17 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -137.53 133.16 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -131.76 173.12 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.982 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.5 m80 -64.26 162.22 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 23' ' ' VAL . 14.5 tttm -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 7.79 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 12' ' ' VAL . 51.7 m -112.49 29.16 8.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.9 t80 -133.93 79.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -141.73 134.38 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 44' ' ' LEU . 45.0 t -47.72 114.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.45 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.13 11.76 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 34.6 t -108.12 -69.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -78.46 -25.53 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 85.43 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -98.78 128.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.96 143.69 51.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 37' ' ' CYS . 9.2 mt -125.16 145.85 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -107.59 -66.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.17 95.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.983 HG22 HG23 ' A' ' 48' ' ' THR . 4.2 m -158.01 -62.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.983 HG23 HG22 ' A' ' 47' ' ' THR . 71.1 p -127.31 4.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.946 HG21 ' CE1' ' A' ' 35' ' ' PHE . 2.0 p -59.76 143.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.86 166.07 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.79 140.28 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.8 t-160 -150.61 130.74 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.05 -99.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.73 51.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.3 OUTLIER -165.07 160.85 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -108.16 141.72 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 19.3 m-85 -145.14 126.34 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 31.8 p -55.65 150.83 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.04 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' LYS . 1.1 t -34.03 -67.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' SER . 24.5 m -40.8 -53.12 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.9 t80 -49.71 -55.81 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.95 -16.06 56.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -54.31 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -51.31 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 22.8 m-85 -64.75 -46.58 81.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.33 166.42 30.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.25 168.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.11 154.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -178.6 166.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 86.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.9 17.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -137.43 178.65 6.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.5 99.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.71 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -170.38 160.99 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.94 169.56 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 167.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 8.8 ttm105 176.66 165.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.9 ttt -178.56 156.81 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -151.11 -153.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.97 171.97 23.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.3 t -101.89 106.64 48.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.595 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.06 -0.73 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -68.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 17.5 p -79.56 -34.3 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 22.54 13.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -40.61 157.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 45.0 t -133.34 121.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -168.55 143.07 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 62.23 -152.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.49 135.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 78.1 62.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.797 ' CE ' HD11 ' A' ' 132' ' ' ILE . 1.9 ttpp -136.32 134.02 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 138' ' ' TRP . 10.0 p -133.97 144.92 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.797 HD11 ' CE ' ' A' ' 130' ' ' LYS . 4.9 mp -124.54 117.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.54 147.54 17.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 46.46 58.05 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 38.39 40.95 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.63 159.44 43.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.544 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.9 m -115.23 143.55 45.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.022 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.51 179.52 9.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 108.004 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.3 m80 -81.4 131.95 35.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.41 61.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -173.66 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.14 -42.36 76.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.824 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -32.1 102.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.4 146.48 38.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.93 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.1 t -47.99 126.54 10.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.81 34.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -135.32 -46.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.9 -20.87 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.4 71.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -78.98 132.15 36.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 141.81 57.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.93 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -163.64 177.41 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.71 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.523 ' H ' HD23 ' A' ' 157' ' ' LEU . 5.0 t 76.84 -56.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -48.43 105.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 167' ' ' LYS . 71.2 p 42.24 55.54 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -104.47 119.23 38.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.562 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -83.6 147.62 27.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 8.4 p-10 -129.25 102.77 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.5 OUTLIER -95.35 88.1 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.1 m-20 38.81 71.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.3 -50.05 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.1 mp0 -59.05 155.01 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.824 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.1 pp -132.01 139.56 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -150.17 -176.85 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' CYS . 29.8 p -95.06 141.46 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.68 -39.61 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.79 64.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 166' ' ' CYS . 9.1 m -80.2 -48.79 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.462 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.0 t80 -55.2 -30.73 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.85 -64.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.7 OUTLIER -48.4 -68.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 22.1 t-20 -39.37 -30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -116.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 131.16 44.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.7 t -85.94 109.67 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.97 7.59 54.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' CD1' ' A' ' 30' ' ' PHE . 3.3 t -100.77 -66.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -80.08 -26.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 11.0 tt0 86.7 28.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.68 148.24 44.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.62 143.81 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 9.1 t -122.08 146.86 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -142.28 -47.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -45.85 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 -15.95 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.42 -28.03 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 23' ' ' VAL . 2.6 tm-20 -40.26 143.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' GLU . 74.7 t -131.86 127.95 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -77.29 174.52 10.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -162.82 74.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 35.98 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.49 -45.85 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -85.42 179.35 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.948 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 41.0 t -169.05 126.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -134.83 167.67 20.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.1 m80 -59.01 161.59 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -53.9 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -29.19 66.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.13 -45.03 91.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.4 t80 -67.73 75.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD12 ' CA ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -137.41 133.21 34.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 t -46.39 111.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.61 7.6 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.035 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.9 t -101.57 -67.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 14.4 p -79.77 -24.41 41.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.63 24.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.33 127.56 53.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.55 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p30 -50.0 144.9 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.075 HD13 HG23 ' A' ' 49' ' ' VAL . 28.6 mt -118.53 107.02 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.36 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 89.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.421 ' C ' HG22 ' A' ' 48' ' ' THR . 1.9 m -164.34 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.501 HG23 ' HB3' ' A' ' 59' ' ' LYS . 5.1 t 41.85 50.63 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.075 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -84.88 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.71 164.81 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.94 167.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.42 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.2 t-80 -160.03 102.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.59 -104.07 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.31 42.78 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 6.8 mm-40 -147.82 151.63 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.667 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -116.02 139.47 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.035 ' CD1' HG23 ' A' ' 39' ' ' VAL . 31.7 m-85 -147.85 167.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.872 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.4 p -104.02 143.74 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 60' ' ' SER . 17.8 tptm -38.16 -61.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -29.71 -72.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' HB3' HG11 ' A' ' 39' ' ' VAL . 83.2 m -44.79 -57.01 4.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -40.82 -65.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.67 -18.21 44.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -73.99 -55.65 5.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -68.4 -54.58 16.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -60.99 -39.4 89.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -174.14 148.39 9.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -177.09 137.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 p 178.08 136.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -178.61 157.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -177.9 85.58 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.88 11.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -153.43 122.7 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.1 t30 178.22 99.86 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.17 4.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.73 152.41 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.92 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t -177.38 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.86 132.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 155.85 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.664 ' N ' ' HZ2' ' A' ' 130' ' ' LYS . 9.4 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 137' ' ' SER . 0.6 OUTLIER -161.48 -153.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.94 172.25 21.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.0 t -101.53 107.3 50.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.606 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.0 -1.15 10.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -69.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.404 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 26.8 p -79.59 -34.64 40.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.48 -29.22 8.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.28 139.86 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 126' ' ' TYR . . . -52.91 167.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.967 HG22 ' CD2' ' A' ' 139' ' ' HIS . 48.5 t -134.49 117.47 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 21.7 m-85 -141.35 -169.4 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -51.82 104.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 166.83 -61.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 47.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.664 ' HZ2' ' N ' ' A' ' 115' ' ' SER . 22.7 tttt -88.06 139.3 30.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.004 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.7 p -133.77 151.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 132' ' ' ILE . 4.9 mp -117.94 116.33 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.39 147.98 18.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.47 52.26 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.84 42.69 6.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.23 170.01 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 3.1 t -116.4 135.43 53.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.004 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -148.9 176.33 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.967 ' CD2' HG22 ' A' ' 125' ' ' VAL . 23.1 m80 -79.21 129.31 34.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.2 OUTLIER -66.37 71.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER 166.62 -46.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 143' ' ' PHE . 76.6 m -59.93 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 108.278 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -29.14 114.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.64 146.77 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.666 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.5 t -71.05 127.2 31.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.31 33.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -134.49 -46.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.24 -20.4 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.12 63.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -62.48 142.73 57.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.6 m -65.11 155.77 33.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -114.21 -174.7 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.2 tm-20 86.21 53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 m -152.14 -53.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.4 p -105.55 -63.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 167' ' ' LYS . 1.0 OUTLIER -176.55 129.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -95.9 119.87 35.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -87.49 150.86 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.597 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -131.83 106.17 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -100.21 94.09 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.2 m-20 38.55 73.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.82 -49.38 3.82 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.5 mm-40 -56.45 153.91 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 134' ' ' ALA . 12.1 pt -132.79 131.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 51.6 m-85 -141.96 -178.17 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -94.59 147.09 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 156' ' ' THR . 10.3 tttt -46.84 -40.98 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.42 -30.14 64.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.2 m -80.76 -47.13 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.503 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -59.19 -32.79 70.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.26 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.7 mmtm -47.08 -60.9 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 172' ' ' LYS . 12.3 m-20 -39.17 -39.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.3 m-85 -123.8 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.937 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -59.47 133.07 55.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.2 t -90.67 111.74 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.25 11.36 37.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.4 t -106.23 -65.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -82.85 -28.09 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.2 tt0 88.95 27.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -123.95 151.23 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.52 150.37 49.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.058 HG22 ' NE2' ' A' ' 31' ' ' HIS . 16.3 t -126.54 162.59 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.3 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.65 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 37.7 p90 -93.11 96.43 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 166.73 -58.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.5 pt-20 -83.14 -23.97 32.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.32 133.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.9 t -128.08 117.71 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.58 165.63 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -163.98 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 108.286 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER 36.88 81.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.77 -47.12 3.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.3 175.9 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.405 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 60.6 p -167.68 127.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.2 OUTLIER -135.86 173.39 11.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.058 ' NE2' HG22 ' A' ' 17' ' ' VAL . 37.4 m80 -51.72 -176.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.647 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -81.92 -58.66 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.44 -40.23 74.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.812 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.3 t80 -70.09 68.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.84 130.53 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -43.46 113.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.38 8.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.856 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -102.02 -67.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 16.0 p -79.76 -23.47 42.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 82.29 25.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.74 136.23 48.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -45.03 145.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.708 HD21 ' CB ' ' A' ' 58' ' ' CYS . 2.4 mt -114.01 142.68 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -176.16 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.495 ' C ' HG23 ' A' ' 47' ' ' THR . 4.2 m -93.63 92.84 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 46' ' ' SER . 36.6 p -155.91 -65.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 10.0 t -141.5 40.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.812 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.6 p -85.29 145.69 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -128.54 163.8 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.24 161.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.34 116.89 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.96 -100.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.82 48.72 2.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -153.19 158.2 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -115.39 138.28 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.856 ' CD1' HG23 ' A' ' 39' ' ' VAL . 21.7 m-85 -143.66 157.81 44.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.708 ' CB ' HD21 ' A' ' 44' ' ' LEU . 16.2 p -96.06 131.52 42.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.34 -57.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.2 m -38.49 -41.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.1 m -70.28 -56.45 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 108.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.919 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-85 -42.26 -48.35 4.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.55 -33.88 60.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -36.96 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -74.38 -57.54 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 20.6 m-85 -58.02 -18.8 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.972 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.53 137.0 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.68 131.38 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 t -176.72 124.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.19 157.31 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -145.58 85.98 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 120.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -76.26 124.6 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -110.27 99.85 41.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.43 39.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 177.58 150.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.39 170.58 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.17 167.31 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.28 157.91 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 ttm -164.37 120.07 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CG ' ' CB ' ' A' ' 137' ' ' SER . 3.9 p-10 -153.26 -163.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.01 171.9 21.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.9 t -98.39 109.25 51.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.427 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 25.1 p -78.07 -32.21 50.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.95 -25.45 22.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 140.54 57.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -56.96 162.07 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -136.14 122.7 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.84 -62.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -161.3 -166.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 74.88 -58.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.3 tp10 -132.51 43.57 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.753 ' HD3' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -96.54 131.64 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.014 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.4 p -129.51 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.753 HD11 ' HD3' ' A' ' 130' ' ' LYS . 4.1 mp -125.79 115.8 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.05 154.54 25.74 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.65 48.47 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 0.803 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.87 21.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 168.37 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 22.9 m -124.04 146.87 48.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.014 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.56 173.99 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 108.002 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -74.51 129.19 37.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -58.01 -16.3 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -81.88 -52.24 7.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.1 m -69.27 -59.29 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.968 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.6 t80 -34.08 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 5.1 ptp180 -141.47 146.1 36.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.2 t -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.93 33.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HZ3' ' CG ' ' A' ' 173' ' ' ASN . 3.3 mttt -134.37 -46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.17 -19.82 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.08 19.38 67.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.86 119.74 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 12.6 p -59.74 134.07 56.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.557 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -103.91 -175.38 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.74 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 174.62 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 155' ' ' THR . 17.6 m -75.78 56.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 13.6 t -132.63 25.4 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.854 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -97.69 171.54 8.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.854 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -138.32 111.79 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 2.6 p30 -90.89 100.04 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.91 97.58 8.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 160' ' ' LYS . 75.0 m-20 39.94 65.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.18 -48.88 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.2 mm-40 -55.37 159.86 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.968 HD13 ' CE1' ' A' ' 143' ' ' PHE . 10.1 pt -136.09 136.96 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 48.8 m-85 -147.94 -174.97 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.4 p -98.95 149.75 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 7.0 ptmt -46.69 -42.75 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -58.45 -29.51 63.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -81.78 -48.13 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.586 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -33.08 68.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.98 -60.08 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.77 -61.07 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 4.7 m-80 -39.02 -38.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 0.9 OUTLIER -124.69 61.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mtpt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 114.48 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.1 t -69.81 107.06 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.91 7.03 60.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 34' ' ' CYS . 2.8 t -96.93 -64.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.3 p -84.34 -24.49 29.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 86.21 28.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.0 143.54 50.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.097 HG22 ' NE2' ' A' ' 31' ' ' HIS . 10.0 t -116.02 149.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -161.83 104.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.682 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.9 m-85 52.68 -171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 83.18 -62.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -137.63 -80.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 50.43 97.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' CD2' ' A' ' 35' ' ' PHE . 43.1 t -100.89 140.79 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 31.6 tt0 -124.68 156.51 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.1 p -164.32 129.7 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 51.28 -100.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.03 40.53 1.66 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -152.1 170.77 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.523 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 4.8 t -159.85 136.61 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.097 ' NE2' HG22 ' A' ' 17' ' ' VAL . 67.5 m80 -62.56 140.07 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.532 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -56.24 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.2 m -52.97 -43.07 66.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG11 ' A' ' 12' ' ' VAL . 86.5 m -61.07 -45.14 95.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 13.4 t80 -67.04 81.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.829 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -128.14 133.02 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.1 t -46.56 111.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 3.64 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.904 HG23 ' CD1' ' A' ' 57' ' ' TYR . 55.0 t -98.15 -73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.1 p -71.9 -22.73 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 81.02 23.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -103.43 135.25 45.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.18 144.44 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.953 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.8 mt -116.85 127.79 54.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -168.41 69.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.25 173.4 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 47' ' ' THR . 10.1 t -92.46 48.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.659 ' O ' HG22 ' A' ' 48' ' ' THR . 3.3 m -159.41 54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.846 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.1 p -118.66 176.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -159.58 165.27 33.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.3 t -120.37 149.27 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 23.8 t-80 -175.69 155.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.76 52.94 7.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 40.63 45.57 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.829 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -114.17 136.42 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.904 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.4 m-85 -142.69 143.42 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.953 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.6 p -74.59 139.2 43.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.546 ' CE ' HG23 ' A' ' 48' ' ' THR . 2.1 ttmt -38.14 -64.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -34.77 -50.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 7.2 m -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.307 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 t80 -45.56 -53.13 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.02 -23.07 76.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -54.88 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -64.82 -48.33 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 5.1 m-85 -60.55 -37.53 81.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.982 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.49 123.38 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -156.78 163.85 38.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -143.93 159.93 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -147.69 168.23 22.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -151.38 94.84 3.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.97 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -113.77 150.03 34.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -128.14 127.86 23.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.28 31.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -111.87 152.41 28.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.93 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -146.86 162.53 38.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -148.27 156.62 42.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 161.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -162.59 -156.37 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.61 170.69 20.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.96 108.58 54.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.0 0.62 8.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -71.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.4 p -75.96 -27.99 57.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -21.86 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.35 141.97 56.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.03 162.79 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 59.4 t -133.43 116.82 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -95.92 177.52 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.12 -66.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.43 134.55 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 74.23 60.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -143.92 141.24 30.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.2 p -133.2 147.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.37 116.87 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.53 142.88 10.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.585 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.78 45.79 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.32 37.46 47.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 157.18 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -115.34 136.83 52.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.975 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.57 173.29 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.6 m80 -70.08 128.46 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.487 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 7.9 tttp -67.31 71.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.9 t 167.28 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.9 p -60.62 -30.52 69.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.778 ' CD1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.21 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.635 ' O ' HD12 ' A' ' 164' ' ' ILE . 8.4 mtt180 -104.05 157.78 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.779 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.8 t -76.6 125.97 30.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.98 33.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.84 -45.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.9 p -110.21 -20.92 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.85 18.13 68.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -80.14 176.76 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 152' ' ' LEU . 70.2 p -95.33 147.9 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -131.75 -175.98 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -153.48 36.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.819 ' HA ' HD23 ' A' ' 157' ' ' LEU . 5.6 t 73.71 -58.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.048 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.2 m -49.7 -57.17 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.0 t -90.09 35.05 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 1.006 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -109.18 140.86 42.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 1.006 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -121.4 115.63 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.585 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -96.03 94.35 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 170' ' ' TYR . 0.0 OUTLIER -130.17 142.28 50.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 47.0 61.92 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.2 34.25 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 6.6 mt-10 -133.79 156.78 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.778 HD13 ' CD1' ' A' ' 143' ' ' PHE . 1.3 pt -115.09 130.67 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 33.7 m-85 -135.48 -176.61 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -98.48 144.75 27.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -45.69 -41.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.13 -31.84 59.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 5.3 m -81.57 -46.85 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 160' ' ' LYS . 4.2 t80 -56.15 -31.12 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.55 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.9 mmmt -47.57 -67.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 19.1 t-20 -38.56 -34.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 171' ' ' ALA . 76.2 m-85 -117.35 58.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.8 t -87.65 109.97 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.95 7.55 54.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -100.83 -66.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.6 p -80.95 -26.61 36.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 87.17 28.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 151.55 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 152.8 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.905 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.5 t -126.51 148.66 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.45 -175.76 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 13.8 p90 -79.51 48.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.65 -56.51 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.72 55.17 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.76 146.16 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 85.9 t -134.41 116.94 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 8.7 tt0 -95.67 145.96 24.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HG ' ' HZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -142.11 137.16 30.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -40.58 105.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -54.89 0.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 m -153.39 169.62 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -121.1 129.2 53.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -127.96 164.86 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.905 ' NE2' HG22 ' A' ' 17' ' ' VAL . 42.6 m80 -54.55 175.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.8 tttt -68.66 -60.11 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -61.75 -33.69 74.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -55.27 -37.48 67.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -68.64 69.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -133.47 133.25 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.5 t -45.05 114.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.42 9.44 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.944 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.1 t -105.33 -68.48 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -78.84 -20.55 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' O ' HD11 ' A' ' 36' ' ' LEU . 9.5 mttt 80.02 21.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 131.48 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -50.15 149.26 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -125.75 146.68 49.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER 155.88 95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.18 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 47' ' ' THR . 4.4 t -165.53 86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER 165.19 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 -179.943 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.954 HG21 ' CE1' ' A' ' 35' ' ' PHE . 4.4 p -49.94 145.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -133.39 165.56 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -118.9 142.4 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 6.5 t60 -153.06 132.93 13.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.93 -104.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -131.71 50.67 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -164.94 160.8 19.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -107.57 141.27 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.944 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -144.44 130.73 19.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.948 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.0 p -66.7 141.29 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 108.267 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CB ' HG23 ' A' ' 48' ' ' THR . 4.2 tttp -38.56 -63.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' LYS . 12.5 t -34.42 -52.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LYS . 12.9 m -58.63 -59.78 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -41.29 -59.04 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.33 -23.5 66.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -72.41 -37.65 68.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -61.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 37.9 m-85 -58.56 -33.67 70.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.23 119.93 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -150.19 157.19 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 p -141.98 170.43 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -164.65 169.17 17.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.633 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -163.5 95.02 1.07 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.06 11.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 t -125.26 149.2 48.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -82.42 114.4 51.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.0 17.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -149.84 150.03 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.71 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -140.25 170.2 16.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.96 163.76 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -170.57 133.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.958 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -156.25 -153.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.03 172.01 23.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.494 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.7 t -100.67 107.92 51.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.99 0.6 8.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -70.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.446 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 16.8 p -77.29 -30.86 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.3 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -109.97 134.58 51.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.44 155.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.862 HG22 ' CD2' ' A' ' 139' ' ' HIS . 69.7 t -134.05 120.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -161.61 -53.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.61 -167.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.34 144.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.58 57.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpp -125.99 96.96 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 6.1 p -97.56 153.97 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -135.28 115.55 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.66 153.79 25.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.48 49.85 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.4 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 3.6 mttt -147.02 169.01 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.61 137.74 51.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -155.15 172.1 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.862 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.9 m80 -77.24 119.34 20.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.545 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.45 ' CE ' ' HG3' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -43.94 -27.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 139' ' ' HIS . 32.8 t -70.33 -51.99 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 144' ' ' ARG . 11.0 m -69.05 -59.69 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.949 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.0 t80 -36.14 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -136.44 143.9 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.525 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.3 t -41.93 127.65 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.257 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.22 33.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -134.44 -46.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.93 -17.25 13.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.84 15.53 81.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -82.42 118.55 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 84.6 p -55.06 137.05 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -99.71 -175.03 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HG3' ' CE ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -179.58 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.1 m -58.39 174.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 155' ' ' THR . 21.0 m -80.06 52.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 68.7 p -128.98 35.12 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.786 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -97.18 166.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.786 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.28 101.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.65 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.4 p-10 -90.29 99.04 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' GLY . 5.3 ttmt -82.38 78.49 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.8 t70 65.74 -69.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -123.62 -30.76 1.03 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.6 mt-10 -76.61 165.18 25.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.949 HD13 ' CE1' ' A' ' 143' ' ' PHE . 7.5 pt -136.8 139.27 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.7 m-85 -150.66 -173.9 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -98.89 144.7 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -40.09 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 172' ' ' LYS . . . -59.16 -28.49 64.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.127 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.0 m -83.09 -48.46 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -32.94 68.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.73 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 168' ' ' GLY . 37.5 mttt -47.24 -62.43 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 57.2 t-20 -39.56 -37.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.2 m-85 -120.51 58.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.57 123.89 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.4 t -81.39 109.84 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.48 7.33 54.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.9 t -100.73 -67.12 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.2 p -79.86 -26.1 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 4.2 tp60 86.61 27.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.98 149.38 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.56 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.095 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.8 t -123.2 146.84 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -99.26 -67.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 178.58 -177.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.37 -66.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -73.37 -38.85 65.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -38.74 136.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' GLU . 68.1 t -133.86 119.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -78.63 130.85 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.522 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 2.0 t -135.55 133.08 38.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -40.27 103.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -55.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -156.74 178.08 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 61.0 m -117.92 140.34 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -137.6 159.53 41.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.095 ' NE2' HG22 ' A' ' 17' ' ' VAL . 61.4 m80 -51.81 171.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -70.78 -59.42 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -58.43 -23.44 57.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -69.45 -55.81 9.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -61.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.733 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -146.18 133.53 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CA ' HD12 ' A' ' 44' ' ' LEU . 48.7 t -47.27 110.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.41 2.78 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 40.2 t -97.37 -74.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -70.83 -21.57 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.22 22.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -101.88 133.96 45.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.8 p-10 -40.91 148.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 58' ' ' CYS . 6.1 mt -127.33 174.45 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.99 173.79 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -75.12 75.07 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 48' ' ' THR . 10.2 t -174.51 123.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 47' ' ' THR . 12.3 t 46.89 35.51 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 3.7 p -111.7 163.19 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.36 165.16 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.625 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.5 t -119.41 174.37 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.625 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -165.33 98.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.57 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.81 -104.12 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.0 40.62 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -148.65 159.79 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.774 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -126.1 134.69 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.6 m-85 -137.48 150.96 47.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.6 p -81.97 141.34 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 48' ' ' THR . 9.5 tttt -38.04 -66.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 59' ' ' LYS . 6.3 p -34.28 -48.57 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.6 m -64.2 -55.98 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 108.316 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.628 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.4 t80 -42.81 -50.24 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.88 -28.29 70.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -65.36 -53.13 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -64.68 -47.78 77.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.0 m-85 -59.13 -31.52 69.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.71 151.11 6.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.41 167.23 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t -157.48 159.04 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.83 172.86 12.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.44 95.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.0 m -139.75 133.12 30.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -143.43 145.9 33.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.23 4.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -173.5 163.05 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.35 132.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -159.34 170.34 22.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 139.41 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.61 149.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.975 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.58 -154.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.46 171.89 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.8 t -100.21 108.62 53.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.522 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -71.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.8 p -77.47 -31.91 54.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.252 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.32 -23.83 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.35 143.26 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.98 162.28 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 139' ' ' HIS . 74.6 t -134.56 123.04 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 t80 -175.84 122.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.59 110.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.45 136.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.35 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.29 123.43 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.0 149.21 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 47.3 mm -125.78 115.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.55 145.64 14.51 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.09 55.18 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.17 37.6 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -143.19 170.58 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 35.3 p -125.99 148.27 49.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.035 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.38 171.75 17.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.884 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.0 m80 -70.23 119.31 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.1 OUTLIER -64.76 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.6 OUTLIER 155.9 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -89.96 -25.09 21.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 97.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.4 ttt180 -102.5 146.26 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.89 ' HB2' HD21 ' A' ' 152' ' ' LEU . 35.7 t -75.07 127.83 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.17 35.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.2 OUTLIER -135.9 -46.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.2 p -109.79 -18.46 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.64 81.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' SER . 6.9 tptt -88.09 144.31 26.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 54.5 p -72.93 137.63 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -105.13 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 174.93 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -54.04 164.26 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 155' ' ' THR . 19.8 m -78.32 57.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -147.33 50.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -102.22 123.28 45.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -85.75 150.18 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.0 OUTLIER -136.05 101.92 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 82.63 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.87 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -117.37 -26.45 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.0 mp0 -77.59 158.05 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.855 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.6 pt -130.41 138.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.0 m-85 -147.2 -175.29 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.44 145.64 25.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -40.27 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.96 -30.02 65.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.9 m -80.63 -47.3 14.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -59.25 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.35 -63.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.48 -61.78 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 172' ' ' LYS . 25.4 m-20 -39.03 -38.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -123.21 58.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -128.4 116.85 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.2 t -65.49 106.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.55 61.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.7 t -94.44 -67.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.63 -22.89 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 84.23 27.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.75 43.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 134.52 46.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.044 HG22 ' NE2' ' A' ' 31' ' ' HIS . 2.7 t -110.27 145.65 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -165.45 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -108.58 -27.82 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -63.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 1.6 tt0 64.2 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.519 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 38.2 t -125.41 117.77 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.45 152.67 23.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 49' ' ' VAL . 1.1 m -146.14 162.62 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' CYS . 7.0 mm-40 -36.86 -48.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.27 47.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -156.21 167.12 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.472 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 3.0 m -177.43 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -142.87 173.83 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.044 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.3 m80 -57.52 166.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 ttmt -68.33 -48.21 65.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -40.46 95.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB3' HG11 ' A' ' 12' ' ' VAL . 96.3 m -59.7 -46.44 89.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.718 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -71.55 95.33 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.88 136.22 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 48.1 t -51.95 114.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.364 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.9 tpt -78.31 10.04 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.1 t -106.35 -70.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -77.02 -21.4 54.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 80.79 21.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 128.87 46.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -53.05 151.99 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.884 HD21 ' CB ' ' A' ' 58' ' ' CYS . 12.4 mt -120.96 155.15 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 44.4 m-20 -174.23 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -49.16 175.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 48' ' ' THR . 67.8 p -97.06 72.29 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 7.0 t -175.68 43.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.791 ' CG2' HD13 ' A' ' 44' ' ' LEU . 5.8 p -107.05 169.84 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -148.02 163.8 35.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.78 159.18 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 10.8 t60 -145.42 145.08 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.18 71.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.565 1.166 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 165.55 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -176.1 -178.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -104.32 142.12 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.797 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.4 m-85 -135.99 157.37 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.884 ' CB ' HD21 ' A' ' 44' ' ' LEU . 17.4 p -87.89 153.5 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -38.5 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 59' ' ' LYS . 63.0 m -31.8 -69.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 35.9 m -41.65 -56.94 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 66' ' ' TYR . 5.1 t80 -45.8 -52.77 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -17.84 65.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -77.56 -54.3 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -46.38 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 62' ' ' TYR . 8.5 m-85 -67.92 -49.21 63.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.941 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 96' ' ' GLN . . . -167.18 178.7 41.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 95' ' ' GLY . 2.6 tp-100 -178.66 146.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.19 166.88 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.45 164.47 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.599 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.92 148.86 7.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.44 8.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.9 t -171.72 155.75 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 177.4 99.85 0.12 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -158.33 164.88 35.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.65 175.02 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.3 p -177.82 169.11 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.37 168.7 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -177.46 165.73 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 125' ' ' VAL . 4.3 m-20 -179.42 167.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -92.07 169.9 32.58 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.6 t -99.85 108.58 52.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.1 Cg_endo -75.05 0.7 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -70.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 19.5 p -78.02 -33.99 50.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 108.329 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.05 -22.0 28.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.01 143.2 55.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.512 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.49 156.03 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 130' ' ' LYS . 58.5 t -129.92 116.15 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -166.74 -47.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.72 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.92 163.52 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 68.3 53.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.581 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -108.89 134.37 51.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.997 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -127.13 150.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.3 mm -127.42 116.18 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.55 9.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.699 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.01 62.62 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.13 33.9 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -136.0 167.47 21.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 44.5 t -128.45 150.24 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.997 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.67 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CD2' HG22 ' A' ' 125' ' ' VAL . 44.7 m80 -70.27 125.75 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 141' ' ' SER . 2.2 ttpm? -65.7 75.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER 159.33 -44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -68.79 -23.12 64.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.049 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.48 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.27 135.78 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.939 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.6 t -58.15 126.67 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.15 34.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.35 -45.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.21 -17.56 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 74.96 14.74 81.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 137.67 32.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 134.29 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -98.87 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -174.31 128.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 69.79 175.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -60.58 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 14.3 t -158.7 25.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -103.02 158.87 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.47 115.64 19.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 8.0 p-10 -95.64 87.44 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' HD2' ' CZ ' ' A' ' 174' ' ' PHE . 0.0 OUTLIER -122.08 140.52 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 47.41 62.71 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.01 35.35 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 14.0 mt-10 -136.23 152.73 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.049 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.7 pt -110.94 136.84 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 26.3 m-85 -141.52 -178.89 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 31.7 p -93.9 146.68 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -47.01 -40.6 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.42 -29.92 67.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 3.3 m -80.52 -47.42 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.707 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -59.3 -33.52 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.6 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.9 mttp -47.41 -60.94 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 95.8 m-20 -39.38 -38.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.0 OUTLIER -123.49 59.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -68.99 116.84 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -78.95 106.52 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 4.73 61.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -94.02 -67.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.599 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 7.1 tt0 85.89 28.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -120.59 155.83 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.2 137.15 38.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.932 HG22 ' NE2' ' A' ' 31' ' ' HIS . 59.3 t -104.11 141.9 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -122.62 141.9 51.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -37.64 103.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.45 -53.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -148.85 52.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.0 127.63 35.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' HD2' ' A' ' 35' ' ' PHE . 39.4 t -110.79 117.94 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.6 156.26 18.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.47 74.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 64.88 -81.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -27.61 3.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 8.1 p -89.0 172.79 8.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.948 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -166.35 130.85 2.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 56' ' ' ILE . 1.9 m-85 -139.13 169.38 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.932 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.9 m80 -62.55 164.03 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 18.8 mttt -62.38 -48.85 77.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.9 p -89.73 40.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.2 m -126.42 -53.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -38.26 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.659 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -150.05 133.1 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.6 t -45.08 114.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 12.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 57' ' ' TYR . 21.4 t -110.35 -71.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.9 p -75.53 -23.38 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 81.82 22.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 132.03 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.447 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p-10 -55.28 147.52 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.999 HD13 HG23 ' A' ' 49' ' ' VAL . 88.8 mt -128.22 133.45 48.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.67 96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.1 t 178.96 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 47' ' ' THR . 1.2 m -169.59 64.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 47' ' ' THR . 1.6 t -179.03 44.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.999 HG23 HD13 ' A' ' 44' ' ' LEU . 1.9 p -115.35 159.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -148.59 165.98 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.57 164.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -159.83 131.53 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.63 -113.25 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.17 49.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.43 170.28 20.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.678 HG21 ' CE2' ' A' ' 30' ' ' PHE . 1.6 pt -117.81 144.38 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.655 ' CE1' ' CB ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -141.99 151.2 42.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.5 p -81.99 145.78 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.67 -65.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.0 -49.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' LYS . 18.4 m -63.64 -58.13 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.451 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -40.23 -53.06 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.1 72.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -64.53 -48.95 73.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -64.97 -52.04 58.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 10.8 m-85 -58.47 -27.65 64.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.07 125.02 2.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.28 123.73 26.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -105.86 149.34 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.99 -62.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -179.19 148.81 0.55 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 102' ' ' ASN . 4.3 t -120.47 -49.05 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 101' ' ' THR . 61.7 t-20 178.53 99.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 92.86 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.806 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.13 167.46 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.33 105.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.0 p -176.96 105.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.68 144.5 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.4 ptp -176.84 143.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.09 -153.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -131.52 173.1 20.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.523 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.1 t -100.05 107.85 49.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.586 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -91.39 -69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -80.15 -36.14 35.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.98 -27.29 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 141.78 56.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -54.39 165.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.948 HG22 ' CD2' ' A' ' 139' ' ' HIS . 53.2 t -135.9 117.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.4 t80 178.43 -50.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.26 78.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 58.92 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 67.03 51.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -115.24 133.19 56.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.52 146.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -124.07 116.4 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.59 147.7 18.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.604 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.11 62.89 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 134' ' ' ALA . . . 36.84 36.54 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.44 169.45 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.559 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 8.4 m -126.64 145.78 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.002 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.08 -178.7 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.948 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.2 m80 -82.01 133.81 35.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.411 ' CG ' ' HB2' ' A' ' 154' ' ' SER . 0.0 OUTLIER -68.73 63.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -179.17 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.3 m -61.22 -42.32 98.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -30.34 100.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 159.49 22.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 152' ' ' LEU . 40.4 t -77.09 127.97 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.91 -46.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.9 p -110.93 -16.66 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.45 -7.34 61.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -54.47 131.4 42.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.2 p -74.46 125.1 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -94.59 -174.1 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.71 64.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 140' ' ' LYS . 4.5 t 60.75 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 156' ' ' THR . 41.0 m 63.01 165.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 155' ' ' THR . 13.6 t 47.28 24.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.77 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -108.55 125.59 51.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.706 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -90.73 143.71 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.604 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.0 OUTLIER -131.47 99.18 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.5 OUTLIER -87.86 94.04 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 60.64 -82.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -117.75 -31.05 1.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.2 mp0 -72.54 155.72 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.786 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.9 pt -128.78 138.54 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 31.8 m-85 -145.16 -175.15 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.3 p -96.77 143.87 27.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -47.31 -39.03 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.32 -29.92 66.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -81.19 -47.72 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.6 -33.61 70.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.63 -64.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 22.4 mtmt -47.25 -63.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.43 ' OD1' ' CE1' ' A' ' 174' ' ' PHE . 37.5 t-20 -38.69 -37.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.4 m-85 -120.25 59.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.998 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' OE2' ' A' ' 22' ' ' GLU . 4.9 tttm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 117.34 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t -78.63 107.87 11.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.14 61.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 13' ' ' CYS . 2.1 t -95.49 -68.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.521 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.1 p -78.2 -24.69 47.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 9.5 tm0? 84.98 27.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -118.4 145.88 44.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 137.07 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.99 HG22 ' NE2' ' A' ' 31' ' ' HIS . 7.4 t -94.33 143.66 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' TYR . 61.7 t80 -92.39 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.4 t80 37.63 89.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 175.8 -63.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.5 tt0 -82.75 -28.03 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' HB2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.87 133.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.6 t -127.89 117.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' SER . 18.5 pt20 -104.42 153.58 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -166.31 101.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' CYS . 8.1 tt0 38.29 74.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.97 -46.06 3.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 25.2 p -52.01 148.17 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.43 84.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 28' ' ' SER . 0.5 OUTLIER -128.66 161.58 29.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.99 ' NE2' HG22 ' A' ' 17' ' ' VAL . 60.1 m80 -58.3 156.45 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 tptt -50.57 -57.0 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.8 t -60.19 -42.09 94.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -56.8 -38.65 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.888 ' CE1' HG21 ' A' ' 49' ' ' VAL . 5.7 t80 -71.8 74.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -138.0 132.39 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.1 t -41.82 115.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.444 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 3.5 mmt -78.1 14.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -112.55 -71.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.3 p -75.54 -23.56 56.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.0 tttp 80.47 23.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.44 133.42 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 36' ' ' LEU . 36.0 t30 -49.84 144.76 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 13.0 mt -122.52 149.0 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER 162.85 147.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 109.356 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.73 67.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m 50.39 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.3 m 84.27 -44.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 p -64.98 146.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -126.04 166.03 17.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -116.17 143.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -152.35 130.32 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.35 -111.59 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.3 51.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 0.809 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -167.17 166.0 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.621 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -111.92 148.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.621 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 3.0 m-85 -146.84 126.55 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.3 p -59.19 148.35 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 60' ' ' SER . 3.8 ttpt -38.0 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -31.82 -69.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.2 m -42.1 -58.19 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -43.92 -50.84 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.8 -23.21 72.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.4 tttp -74.89 -48.08 26.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.786 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -62.34 -44.97 95.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 10.7 m-85 -68.22 -47.44 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.61 165.8 28.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 171.02 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 170.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 174.33 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 148.87 6.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.35 6.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -140.11 163.52 32.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -138.41 132.67 16.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -179.89 148.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.38 175.89 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.8 p -178.0 170.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.37 153.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.38 167.9 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -157.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.35 171.32 20.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 45.1 t -97.41 109.48 50.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -6.58 18.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -66.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.433 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.1 p -80.55 -41.72 23.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.275 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.9 -25.16 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -56.15 -173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.5 160.07 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.917 HG22 ' CD2' ' A' ' 139' ' ' HIS . 93.1 t -134.19 123.37 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.82 -67.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.638 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -152.9 178.85 9.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 80.03 -54.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -131.5 43.37 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.617 ' HG3' HG12 ' A' ' 125' ' ' VAL . 8.7 tttm -101.83 123.51 45.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.8 p -123.58 149.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.4 mp -129.95 115.41 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.83 150.78 22.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.648 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.61 47.41 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.87 37.53 28.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -145.46 173.31 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.606 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 5.9 p -128.43 149.59 50.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.04 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.15 175.25 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.917 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.9 m80 -73.96 129.0 36.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -58.34 -15.8 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 -51.94 5.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 7.2 m -68.4 -59.19 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' A' ' 164' ' ' ILE . 4.6 t80 -34.36 100.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -143.46 158.35 43.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.624 ' HB2' HD21 ' A' ' 152' ' ' LEU . 41.8 t -50.73 125.8 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.28 32.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -133.45 -46.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -111.11 -27.5 8.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 108.289 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.19 17.36 50.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -81.37 115.88 20.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 1.1 t -48.09 149.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -156.33 174.73 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -159.37 -43.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 153' ' ' GLU . 0.3 OUTLIER -174.45 -177.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 156' ' ' THR . 8.8 t 40.33 42.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 167.22 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.435 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 1.043 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -66.79 155.43 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 1.043 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -134.83 104.99 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.648 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.7 p30 -88.53 102.35 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 79.11 9.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.71 -76.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -125.82 -2.12 7.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.4 mm-40 -101.78 168.05 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.836 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.0 pt -137.03 137.05 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 50.6 m-85 -150.07 -174.16 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.1 p -100.8 151.48 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -41.62 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.02 -30.21 66.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -82.48 -47.91 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.577 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.4 t80 -57.8 -32.68 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.38 -60.69 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 173' ' ' ASN . 12.3 mtmt -47.61 -61.19 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.7 m-20 -39.57 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.8 m-85 -122.79 61.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' NZ ' ' H ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -129.41 117.49 20.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.8 t -81.97 106.22 13.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.45 5.19 61.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -94.7 -67.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.46 -23.44 37.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 84.34 28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.7 151.33 37.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.11 140.92 49.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.962 HG22 ' NE2' ' A' ' 31' ' ' HIS . 39.6 t -104.67 157.36 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -91.31 -79.52 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 177.14 167.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.17 -68.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.57 -28.46 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 17' ' ' VAL . 89.1 mt-10 -38.85 136.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 35' ' ' PHE . 72.1 t -122.47 117.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.18 162.34 25.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 111.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.43 54.96 3.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -175.35 161.25 2.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 77.7 p -167.16 123.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -135.5 175.72 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.962 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -61.23 177.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -80.12 -52.82 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -66.63 -36.18 81.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -56.53 -40.16 74.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 23' ' ' VAL . 6.4 t80 -62.03 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -139.04 132.52 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.747 ' HB2' HD11 ' A' ' 44' ' ' LEU . 42.3 t -46.55 115.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.73 12.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.922 HG23 ' CD1' ' A' ' 57' ' ' TYR . 22.0 t -110.11 -70.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -77.12 -25.57 52.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.84 24.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.96 129.66 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -62.24 145.96 52.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 37' ' ' CYS . 4.4 mt -129.36 145.22 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.53 81.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.1 p 57.85 112.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 177.64 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.595 ' H ' HG23 ' A' ' 47' ' ' THR . 10.1 t -175.0 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.679 HG11 ' HE2' ' A' ' 35' ' ' PHE . 3.4 p -78.29 159.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -132.68 165.13 25.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.48 142.75 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.554 ' CD2' ' HH ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -149.92 119.94 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 -94.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -141.57 43.09 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 0.814 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 11.3 mt-10 -152.09 159.06 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -108.78 140.02 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.922 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.2 m-85 -145.2 127.0 15.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 p -56.91 150.59 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' SER . 7.8 tmtt? -37.15 -68.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' LYS . 24.5 m -33.02 -69.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' LYS . 60.3 m -43.25 -55.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.296 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.622 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.04 -55.53 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.6 -17.64 67.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -75.65 -52.72 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -46.37 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.554 ' HH ' ' CD2' ' A' ' 52' ' ' HIS . 18.2 m-85 -66.67 -48.72 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.04 156.3 13.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.65 158.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.797 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 t 177.86 155.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 157.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -165.72 120.22 0.93 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.35 4.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 m -132.47 149.42 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -101.34 132.72 21.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.39 4.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -127.3 162.71 25.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.38 170.89 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 169.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.06 145.48 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.7 ptm -119.55 162.6 18.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.02 -153.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.89 172.3 23.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.5 t -100.29 108.11 50.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -93.65 -70.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.1 p -77.89 -33.18 52.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.01 21.62 20.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.86 133.18 53.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.769 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -43.32 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.872 HG22 ' CD2' ' A' ' 139' ' ' HIS . 79.7 t -134.06 119.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 41.0 p90 -178.05 171.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 71.93 -78.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.94 48.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 66.83 51.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -125.12 90.24 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -81.96 149.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.3 116.68 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.85 153.45 25.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.51 52.71 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.89 42.14 6.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -149.51 165.69 31.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.6 m -123.83 139.69 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.99 174.23 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.872 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -75.87 127.6 33.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -56.42 -18.06 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -52.2 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.98 -59.74 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.935 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -32.28 103.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.69 143.67 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 t -41.91 126.66 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.89 33.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.423 ' HD2' ' CD1' ' A' ' 165' ' ' TYR . 6.7 mttt -133.76 -46.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.6 -25.56 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.37 20.97 46.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.04 115.91 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.8 p -60.43 141.98 55.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -174.51 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 140' ' ' LYS . 4.2 pt-20 -164.48 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 155' ' ' THR . 60.0 p -134.77 137.65 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 154' ' ' SER . 77.0 p 44.36 -168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 157' ' ' LEU . 25.8 m 70.54 -55.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.934 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -46.93 172.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.934 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -146.87 120.56 9.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -92.86 101.68 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 99.61 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.9 t0 43.1 57.15 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.73 -46.69 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 19.0 mm-40 -53.13 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.935 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.5 pt -133.75 131.7 56.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.9 m-85 -143.76 -171.84 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.5 p -102.71 142.34 34.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 -42.81 5.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.93 -33.02 59.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.85 -47.42 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.06 -31.5 65.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.07 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 27.9 mttt -45.78 -59.03 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 11.8 m120 -38.45 -43.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 2.1 m-85 -132.06 62.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -123.22 114.42 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.6 t -80.38 105.91 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.99 5.66 61.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.79 -65.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.559 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.4 p -83.94 -22.86 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 83.67 29.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.94 158.0 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 135.86 37.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.817 HG22 ' NE2' ' A' ' 31' ' ' HIS . 60.7 t -98.42 155.42 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -141.06 153.83 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 28.3 t80 -53.56 98.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 180.0 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -146.92 51.29 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.669 ' HG3' HG11 ' A' ' 17' ' ' VAL . 4.4 tt0 -92.31 134.18 35.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.704 HG11 ' HD2' ' A' ' 35' ' ' PHE . 52.9 t -120.08 117.82 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.89 156.99 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -140.52 141.7 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.27 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' CYS . 2.6 mm-40 -36.84 -52.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.5 48.29 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 176.53 -177.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 94.2 p -172.7 129.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.808 ' CD1' HG23 ' A' ' 12' ' ' VAL . 3.8 m-85 -145.36 175.59 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 17' ' ' VAL . 77.8 m80 -69.01 171.49 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.6 tmtt? -69.73 -42.68 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -90.65 37.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -127.85 -47.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.255 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.747 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -52.1 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 ' C ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -152.16 129.69 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.3 t -48.95 111.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.2 9.3 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.863 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.3 t -105.93 -73.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -73.4 -25.07 60.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 84.3 24.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.25 128.91 44.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 36' ' ' LEU . 7.1 m120 -60.89 144.31 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.99 HD13 HG23 ' A' ' 49' ' ' VAL . 17.3 mt -125.32 139.81 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.6 83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.46 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 169.35 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 46' ' ' SER . 35.0 p -153.96 -171.02 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 47' ' ' THR . 1.7 p 54.97 27.32 9.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.99 HG23 HD13 ' A' ' 44' ' ' LEU . 5.4 p -106.38 152.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.687 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -136.37 165.74 25.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.11 174.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.619 ' H ' HG12 ' A' ' 51' ' ' VAL . 37.7 t-80 -169.5 95.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.42 -125.0 24.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -91.8 35.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -148.53 154.97 40.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.809 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -118.51 144.33 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.7 m-85 -143.4 148.85 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.48 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.5 p -84.58 156.05 21.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -39.18 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 59' ' ' LYS . 19.0 t -32.17 -69.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 40.1 m -41.88 -58.43 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.687 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.67 -55.03 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.21 -20.08 62.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -78.86 -47.2 17.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -52.77 46.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -67.64 -48.42 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.47 126.49 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -177.32 131.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.0 p -175.97 121.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -177.29 150.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -156.33 137.64 9.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.54 36.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.9 t -172.54 122.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.76 141.18 1.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -166.03 149.09 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.14 153.2 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 170.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -155.52 145.47 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.06 168.84 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.511 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 1.6 m-20 -150.75 -154.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.66 172.07 23.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -100.49 108.01 51.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.482 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.06 -0.08 9.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.447 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.5 p -77.94 -33.48 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.6 21.99 17.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.54 135.37 50.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -45.24 155.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 139' ' ' HIS . 70.9 t -134.63 127.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -171.58 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -75.82 -166.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.46 152.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.44 55.25 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -124.73 124.43 42.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.963 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -129.58 146.38 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.7 mp -126.42 116.53 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.54 145.28 15.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.767 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.73 57.73 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.71 31.95 2.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -133.4 170.67 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.511 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -134.58 140.03 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.963 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.42 173.69 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.848 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.3 m80 -78.46 116.73 19.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -43.6 -26.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 139' ' ' HIS . 23.7 p -68.59 -55.6 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -67.74 -56.21 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.065 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.1 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.6 ptm180 -135.4 152.29 51.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.538 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.5 t -46.27 126.94 8.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.68 33.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -46.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.5 p -110.22 -22.28 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.08 19.01 63.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 116.36 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 52.1 p -44.71 139.34 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.628 ' CD1' HD12 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -103.86 -173.7 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.7 p 46.91 -168.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -75.25 63.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.0 m -133.0 8.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.699 HD12 ' H ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -103.1 -175.1 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.699 ' H ' HD12 ' A' ' 157' ' ' LEU . . . -142.15 108.17 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.767 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -96.99 92.97 6.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -128.66 140.85 51.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 163' ' ' GLU . 17.4 m-20 47.84 64.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.48 28.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -127.17 152.88 46.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.065 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.3 pt -117.71 138.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 50.5 m-85 -143.98 -175.91 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 31.5 p -98.61 144.8 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.17 -39.79 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.17 67.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -81.99 -48.16 11.79 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.584 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.69 -33.35 70.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.97 -62.86 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 173' ' ' ASN . 46.4 mttm -47.47 -61.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 172' ' ' LYS . 4.2 m-20 -39.59 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -121.97 59.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -129.92 115.0 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -70.27 106.76 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.339 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.71 5.39 61.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.69 -66.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.557 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.6 p -82.63 -23.38 34.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.6 tt0 85.02 28.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -117.09 147.49 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.34 148.71 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.027 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.6 t -125.6 163.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.76 177.69 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.4 t80 -96.01 64.57 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 177.96 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -40.53 93.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HA ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.9 129.25 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.761 HG11 ' CD2' ' A' ' 35' ' ' PHE . 54.8 t -100.69 117.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 119.84 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -128.55 147.39 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -47.82 -60.79 2.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.34 -27.48 24.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 161.16 -173.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -110.33 133.78 52.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.7 m-85 -137.35 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.027 ' NE2' HG22 ' A' ' 17' ' ' VAL . 53.1 m80 -62.68 175.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' SER . 1.6 pttt -74.2 -47.67 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 4.3 t -72.36 -35.02 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 m -57.07 -40.53 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.778 ' HE1' HG21 ' A' ' 49' ' ' VAL . 5.6 t80 -67.26 78.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -138.67 136.84 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.538 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.4 t -50.15 114.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.55 10.83 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.967 HG23 ' CD1' ' A' ' 57' ' ' TYR . 39.9 t -106.5 -68.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.8 p -78.55 -25.42 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.1 tttp 85.85 23.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 128.09 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.419 ' CG ' HD12 ' A' ' 36' ' ' LEU . 3.0 m120 -57.58 144.59 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.862 HD13 HG23 ' A' ' 49' ' ' VAL . 11.5 mt -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.26 -64.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.79 79.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -158.88 86.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.886 HG22 ' HB2' ' A' ' 59' ' ' LYS . 20.9 m 53.19 62.65 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.862 HG23 HD13 ' A' ' 44' ' ' LEU . 9.9 p -103.42 150.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.69 165.56 21.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.528 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.64 165.61 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 38.2 t60 -166.11 108.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.36 -105.77 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -119.27 45.06 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.34 158.12 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -116.27 144.26 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.967 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.5 m-85 -143.93 132.13 21.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.742 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.3 p -68.95 136.7 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.886 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.6 OUTLIER -39.85 -60.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.22 -48.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 m -62.85 -54.89 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -45.05 -51.53 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.38 -24.61 76.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -71.84 -36.79 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -81.86 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 38.5 m-85 -57.65 -30.3 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.64 160.88 25.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -178.43 147.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 170.02 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -147.66 173.06 13.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -151.46 94.88 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.22 7.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 111.06 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.4 m -149.73 154.37 38.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -155.5 132.69 6.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.2 7.58 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -153.94 165.67 35.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -156.95 174.91 14.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -172.0 168.88 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -165.91 166.66 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.43 167.72 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.951 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.2 OUTLIER -176.82 177.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -100.22 171.63 23.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.7 t -98.28 108.83 49.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.97 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -91.92 -69.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.462 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.0 p -79.25 -37.19 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.6 9.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -111.67 138.42 48.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -50.72 153.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.829 HG22 ' NE2' ' A' ' 139' ' ' HIS . 92.3 t -134.61 116.18 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -127.26 -161.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -42.48 136.58 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 66.67 133.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 60.96 43.02 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.6 OUTLIER -132.82 98.3 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.0 p -89.2 152.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 90.0 mt -131.94 115.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.51 153.83 25.38 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.9 45.58 18.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 50.25 42.41 41.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 13.5 mttt -148.37 166.8 27.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 137.62 54.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.55 173.65 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.829 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.7 130.42 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -60.44 -14.52 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -50.71 8.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.78 -59.36 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.135 ' CE1' HD13 ' A' ' 164' ' ' ILE . 3.2 t80 -32.56 105.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 11.3 ptt-85 -150.58 145.53 25.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.2 t -42.6 127.16 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.55 34.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 0.1 OUTLIER -135.05 -46.53 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.9 p -110.14 -21.63 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.43 19.36 62.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 117.54 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 11.8 p -57.46 141.1 48.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.881 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -114.28 -174.98 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 154' ' ' SER . 2.6 tm-20 -172.81 56.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 153' ' ' GLU . 0.4 OUTLIER 38.97 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 m -157.26 -60.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.9 t -139.6 48.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.881 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -101.35 175.14 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.808 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -135.21 152.57 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 6.7 p30 -127.27 105.08 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -101.45 95.46 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 39.41 64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.82 -50.46 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.5 mp0 -52.98 156.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.135 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.6 pt -133.94 132.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 55.8 m-85 -143.1 -174.45 4.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.9 p -97.76 151.99 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -46.54 -44.0 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.09 -29.37 62.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.1 m -80.81 -47.38 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.582 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -59.06 -33.29 70.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.25 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.0 mtpt -47.8 -60.71 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.413 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 63.3 t-20 -39.99 -38.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -122.81 58.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.64 113.36 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.2 t -71.84 107.47 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.57 5.73 60.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.2 t -96.62 -66.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.92 -22.88 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER 83.77 27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.4 144.94 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 140.96 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.033 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.0 t -109.41 140.68 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.09 145.78 45.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -37.26 102.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.84 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.9 pt-20 -134.69 -57.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 27.37 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 35' ' ' PHE . 55.2 t -85.44 118.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -71.98 164.6 25.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -161.61 76.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' CYS . 5.0 tt0 37.32 78.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.92 -47.17 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.39 175.34 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -164.85 110.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -116.9 162.69 17.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.033 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.5 m80 -60.16 158.62 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.556 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HA ' HG21 ' A' ' 23' ' ' VAL . 6.0 tttt -52.16 -39.26 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.66 31.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 12' ' ' VAL . 53.4 m -132.21 23.85 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -122.35 71.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.4 tt -138.3 135.58 35.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.1 t -47.91 113.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 9.36 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.93 HG23 ' CD1' ' A' ' 57' ' ' TYR . 43.3 t -104.36 -68.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.2 p -78.76 -25.11 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER 85.8 23.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.28 127.18 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.544 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.6 p30 -54.07 148.05 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 49' ' ' VAL . 23.4 mt -122.99 141.62 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -139.9 -58.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.466 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -153.27 72.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 HG23 ' C ' ' A' ' 46' ' ' SER . 68.4 p -153.31 76.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' A' ' 59' ' ' LYS . 5.8 t 40.35 51.68 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 35' ' ' PHE . 3.3 p -78.12 144.99 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -126.14 166.09 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.41 158.09 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 14.2 t-160 -162.81 114.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.18 -109.24 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 50.31 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.22 160.95 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.614 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.39 145.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.93 ' CD1' HG23 ' A' ' 39' ' ' VAL . 23.1 m-85 -145.29 131.29 19.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.651 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.1 p -69.25 140.93 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.37 -67.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -31.37 -56.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.81 -58.95 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -44.37 -59.82 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -21.56 55.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -40.21 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -73.75 -57.11 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -65.47 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.967 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.21 153.94 11.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -174.09 144.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.1 t -169.79 158.53 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.93 172.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.04 148.81 30.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -142.41 157.95 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.97 130.74 20.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -157.94 125.39 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.86 169.88 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 167.26 30.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.72 125.86 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 tpp -159.84 121.39 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.8 -153.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.44 172.15 23.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -99.83 108.24 50.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -93.96 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.4 p -77.68 -32.68 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.34 21.67 21.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.78 134.1 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.413 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -44.57 155.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.846 HG22 ' CD2' ' A' ' 139' ' ' HIS . 68.9 t -134.34 124.26 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 8.7 t80 -170.58 136.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.2 -154.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.39 138.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.06 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -145.49 134.5 22.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -132.28 147.92 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.85 116.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.62 157.57 27.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.88 48.82 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 45.27 45.1 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.93 158.8 38.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.3 OUTLIER -115.02 140.88 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.78 174.33 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 108.027 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.846 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -76.72 128.57 34.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.465 ' CE ' ' HG2' ' A' ' 153' ' ' GLU . 10.2 ttpt -56.87 -17.62 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.92 -51.9 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.8 m -70.98 -59.01 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 108.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.755 ' HE2' HD22 ' A' ' 157' ' ' LEU . 2.0 t80 -32.79 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.542 ' C ' HD11 ' A' ' 152' ' ' LEU . 2.1 ptt180 -143.73 166.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.9 t -64.27 126.94 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.32 33.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -133.78 -46.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.7 p -110.23 -23.6 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.85 58.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -86.52 118.8 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 89.2 p -52.4 145.9 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.542 HD11 ' C ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -118.49 -174.31 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 140' ' ' LYS . 2.4 mt-10 -156.54 -66.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 166.64 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 155' ' ' THR . 53.7 m 38.99 48.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.3 m -169.07 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.755 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -62.31 169.69 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -143.27 115.7 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 6.0 p-10 -90.59 104.11 16.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 95.31 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 43.89 59.21 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.53 -45.65 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 47.2 mm-40 -56.09 163.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 143' ' ' PHE . 13.6 pt -136.99 135.49 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.3 m-85 -148.59 -174.02 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.0 p -100.58 147.8 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -43.81 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.47 -32.07 60.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.6 m -80.63 -47.95 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.408 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -56.65 -31.99 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' A' ' 175' ' ' GLY . . . -81.0 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 6.3 mtpm? -45.83 -60.15 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.633 ' HB3' ' CD2' ' A' ' 174' ' ' PHE . 6.7 m120 -38.27 -42.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.633 ' CD2' ' HB3' ' A' ' 173' ' ' ASN . 3.6 p90 -179.04 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 174' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 3.6 mttt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -123.3 126.75 47.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.0 t -83.79 108.64 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.84 4.62 60.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.88 -68.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.533 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -78.06 -24.86 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.28 27.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 146.16 47.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 138.69 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.3 t -104.27 141.08 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.69 169.63 8.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.51 91.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 -60.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -113.9 -74.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HA ' HG11 ' A' ' 17' ' ' VAL . 7.9 tp10 39.43 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.9 t -91.99 117.58 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.05 155.81 40.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HG ' ' HE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -137.71 141.18 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -36.29 -53.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.82 47.14 1.03 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 171.78 -164.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.422 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 m -170.53 131.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -140.12 173.89 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 52.4 m80 -66.25 174.62 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.8 tttm -67.73 -61.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 p -60.11 -34.85 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.2 m -56.21 -38.85 71.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -63.72 79.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.2 132.43 23.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.5 t -45.02 115.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.74 15.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 37' ' ' CYS . 18.1 t -113.62 -71.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -75.82 -23.12 55.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.81 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.5 ttmt 81.42 23.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -95.13 130.02 42.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.3 m120 -63.53 146.37 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 56' ' ' ILE . 6.2 mt -126.91 166.53 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 47' ' ' THR . 2.3 m-20 171.42 113.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.2 p 50.99 55.45 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 45' ' ' ASP . 66.4 p -138.55 -149.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -88.59 18.97 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.6 p -56.45 152.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.93 165.83 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.4 HG22 ' SG ' ' A' ' 25' ' ' CYS . 11.2 t -115.19 138.79 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 58.9 t60 -149.36 141.22 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.04 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.18 56.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -173.0 172.4 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.816 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -107.45 149.09 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 7.5 m-85 -148.25 125.36 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -62.4 136.38 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 60' ' ' SER . 30.7 tptt -37.13 -62.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 59' ' ' LYS . 3.4 m -34.57 -50.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.1 m -62.17 -55.77 25.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.1 t80 -43.16 -50.39 6.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.44 75.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -68.44 -56.95 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -62.25 -47.03 86.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.719 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.1 m-85 -60.34 -37.03 79.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.998 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.62 8.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.5 143.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 t -179.88 124.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -177.8 142.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -171.21 120.05 0.48 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.39 4.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -169.31 156.13 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -171.95 92.82 0.41 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -159.64 167.26 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.45 175.5 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -174.02 169.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.92 165.82 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.1 ptm -151.22 170.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.5 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 5.3 m-20 -150.71 -157.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -137.76 171.69 23.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.1 t -99.75 108.89 53.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -70.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.457 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 25.7 p -79.26 -33.59 43.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.08 -26.55 14.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.21 138.53 57.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 0.72 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.71 165.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 71.6 t -136.25 123.64 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 14.7 t80 -171.06 135.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.64 -151.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.52 137.92 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.11 57.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 128.07 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.016 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.4 p -128.62 149.58 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -130.03 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 149.78 21.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.02 55.44 8.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.26 38.97 5.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -144.14 173.17 11.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.5 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 2.9 p -132.96 144.14 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.016 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.5 176.93 11.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -78.34 127.18 31.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -18.76 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.2 p -79.48 -53.16 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.75 -59.71 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.829 ' HE2' HD22 ' A' ' 157' ' ' LEU . 3.9 t80 -33.62 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 142' ' ' CYS . 16.7 mtt180 -128.03 170.64 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.773 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.2 t -72.5 128.34 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.18 34.91 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 -46.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.4 p -111.02 -26.55 9.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.75 19.93 52.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 130.16 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.426 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -50.19 144.07 7.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -110.36 -173.12 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.76 174.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.9 t -50.8 149.32 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.5 m 39.14 65.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.51 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.829 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -71.76 169.53 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.78 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.02 98.67 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.728 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -86.1 104.27 15.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 76.78 9.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.62 -76.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -121.96 -13.89 4.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.6 mm-40 -92.3 168.29 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.4 pt -137.32 135.55 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.3 m-85 -148.36 -173.29 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.4 p -99.64 148.91 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.48 -43.87 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.45 -32.16 60.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.2 m -80.51 -47.18 14.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.595 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.5 t80 -57.15 -32.02 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -82.23 -65.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.1 mmtm -45.28 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 3.0 m120 -38.08 -44.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 173' ' ' ASN . 3.9 m-85 -133.78 63.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -121.62 121.62 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.5 t -80.93 105.54 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.251 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.43 6.29 61.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.8 t -94.2 -65.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' HG12 ' A' ' 12' ' ' VAL . 29.0 p -84.52 -23.0 29.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.6 tt0 83.84 29.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 175.46 5.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.81 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.855 HG11 ' HG3' ' A' ' 22' ' ' GLU . 98.2 t -109.24 135.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 4.7 t80 -113.93 123.1 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 18' ' ' TYR . 18.2 p90 -37.51 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.57 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 32' ' ' LYS . 4.7 pt-20 -134.5 44.57 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.855 ' HG3' HG11 ' A' ' 17' ' ' VAL . 6.4 tt0 -92.06 132.59 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 32' ' ' LYS . 74.3 t -120.11 117.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -97.2 161.61 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.84 170.57 20.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.01 110.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.45 54.81 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -171.04 168.73 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 50.3 p -169.86 123.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -138.28 165.03 27.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.756 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.2 m80 -59.92 155.03 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.632 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.4 ptmt -52.21 -36.58 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -93.93 23.57 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 12' ' ' VAL . 35.4 m -127.08 31.41 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.851 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -133.59 87.3 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.78 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -141.55 133.36 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 39' ' ' VAL . 44.4 t -45.4 114.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 14.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 57' ' ' TYR . 15.7 t -113.51 -72.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 9.5 p -74.5 -24.34 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 83.63 21.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 126.98 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.51 147.77 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -124.88 163.69 21.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.96 -66.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 p 170.16 110.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.12 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 48' ' ' THR . 13.3 t -136.84 62.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.851 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.4 p -113.06 173.35 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -155.54 164.78 38.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.39 154.49 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -156.0 127.0 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.16 -117.74 3.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.83 47.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -159.31 165.3 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.715 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -114.52 148.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 2.0 m-85 -145.63 143.79 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.8 ' HB3' HD21 ' A' ' 44' ' ' LEU . 19.7 p -78.01 136.59 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' THR . 11.7 tttt -38.34 -61.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -34.14 -49.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 16.7 m -62.96 -57.1 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.327 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.633 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -43.02 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.66 -26.75 72.13 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -44.85 76.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -69.63 -55.72 9.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 62' ' ' TYR . 12.6 m-30 -58.22 -28.11 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.52 173.35 41.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -178.41 169.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p 178.42 167.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 166.76 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.84 95.0 0.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.83 9.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -171.73 158.98 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 176.77 99.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 175.31 161.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.1 175.96 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 161.56 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.24 165.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.23 170.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 0.8 OUTLIER -160.67 -153.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.51 172.13 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.6 t -99.42 108.93 52.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -2.35 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.16 -70.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.449 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 24.6 p -79.41 -34.84 41.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.52 -25.92 14.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -61.15 141.57 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 163.2 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -134.94 117.11 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -159.7 139.18 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.496 ' O ' ' CD ' ' A' ' 130' ' ' LYS . . . 66.34 -157.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.04 134.45 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 77.67 61.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -146.11 93.04 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.9 p -84.73 149.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 34.6 mm -127.02 116.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.54 146.25 15.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 159' ' ' ASP . . . 45.68 59.54 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.89 39.48 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -140.47 168.75 19.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -128.73 137.7 51.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.958 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -156.3 175.38 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -79.75 127.61 32.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.13 -16.81 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -51.99 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.502 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.19 -59.68 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -29.24 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptt180 -139.21 168.58 19.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.63 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.2 t -63.95 125.88 25.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.42 31.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -46.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.4 p -111.0 -26.45 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.29 20.67 44.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -88.19 118.09 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 98.3 p -49.64 145.65 4.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -120.57 -173.68 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -141.3 -65.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.504 ' HA ' HD23 ' A' ' 157' ' ' LEU . 7.4 t -175.89 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 156' ' ' THR . 23.5 m -81.1 67.21 6.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 169.46 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -70.42 173.62 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.702 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -139.06 111.04 7.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -90.48 93.64 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.0 OUTLIER -91.28 -163.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.92 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . 44.73 34.72 3.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.7 mm-40 -136.77 162.35 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.895 HD13 ' CE1' ' A' ' 143' ' ' PHE . 18.4 pt -130.69 136.67 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.5 m-85 -146.63 -173.65 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.5 p -101.35 150.03 23.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.534 ' HE2' ' HB2' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -45.86 -43.79 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.66 -30.31 62.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.3 m -81.89 -47.56 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.556 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.8 t80 -57.84 -32.56 67.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.534 ' HB2' ' HE2' ' A' ' 167' ' ' LYS . . . -81.29 -61.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 173' ' ' ASN . 8.7 mtpt -47.32 -60.74 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 172' ' ' LYS . 99.1 m-20 -39.66 -39.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 171' ' ' ALA . 4.9 m-85 -123.28 58.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.75 121.93 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.5 t -81.89 107.74 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.04 4.55 61.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -95.48 -67.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.9 p -79.5 -23.24 43.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 83.27 27.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 146.13 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.47 153.04 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.036 HG22 ' NE2' ' A' ' 31' ' ' HIS . 47.8 t -119.86 156.3 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.58 118.61 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 25.0 p90 -37.61 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.52 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -111.2 -13.82 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.3 pt-20 -38.95 133.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 35' ' ' PHE . 53.4 t -116.11 117.19 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 165.67 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -148.79 145.44 27.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' CYS . 33.1 mt-10 -37.6 -52.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.84 48.7 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 176.44 -174.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 0.722 . . . . 0.0 110.002 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.465 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 48.3 p 179.46 117.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.41 172.33 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.036 ' NE2' HG22 ' A' ' 17' ' ' VAL . 36.7 m80 -59.19 175.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 10.5 ttpp -71.79 -55.57 7.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -66.13 -36.88 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.59 -39.74 74.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.6 t80 -66.74 78.22 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.2 tt -138.62 134.51 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -44.93 115.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.468 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -78.88 13.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.425 HG21 ' HD2' ' A' ' 57' ' ' TYR . 22.0 t -110.35 -70.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.0 p -76.86 -23.55 52.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.6 ' O ' HD11 ' A' ' 36' ' ' LEU . 30.2 tttt 81.43 24.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 126.25 50.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.735 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -47.48 146.09 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.988 HD13 HG23 ' A' ' 49' ' ' VAL . 32.1 mt -120.89 155.4 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -147.85 175.98 10.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 p -63.85 96.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 48' ' ' THR . 7.7 t -163.12 -50.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 47' ' ' THR . 11.8 t -170.09 39.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.988 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -85.82 146.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -127.33 164.92 20.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 ' SG ' ' A' ' 25' ' ' CYS . 4.5 t -120.49 148.06 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -151.39 134.83 16.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.623 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.79 -104.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.77 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 1.0 OUTLIER -167.37 168.85 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.631 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -107.74 149.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 4.9 m-85 -146.92 136.18 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.895 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.0 p -74.05 135.84 43.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -37.34 -62.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -34.15 -50.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.2 m -61.5 -58.16 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.281 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.59 -52.1 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.85 -25.21 75.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -69.32 -57.91 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -46.54 90.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -61.17 -39.15 89.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.991 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.41 156.53 8.71 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -178.48 166.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.19 167.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 170.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.82 94.98 0.11 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.6 p -132.08 177.82 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.12 99.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 p30 177.75 154.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.23 164.07 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p 178.19 160.25 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -179.19 158.92 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -178.77 159.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.64 -156.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -127.65 172.0 18.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -100.92 108.27 53.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -70.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.492 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.2 p -77.52 -33.05 54.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.12 -23.61 26.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.42 140.82 58.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -58.91 161.58 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 ' CD2' ' A' ' 139' ' ' HIS . 89.2 t -134.31 123.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 37.1 p90 -174.59 120.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.18 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.96 134.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.92 50.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.481 ' CG ' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -127.15 122.03 33.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -128.9 146.4 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.4 mp -124.05 116.08 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.33 140.99 9.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.788 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.49 56.26 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.85 36.47 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 2.5 mttt -139.57 163.11 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.609 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 50.1 m -121.74 148.72 44.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.48 171.94 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.79 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -71.24 123.94 23.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 3.0 tttm -67.25 73.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 3.2 t 162.82 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' PHE . 1.5 p -80.57 -28.03 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.331 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.18 100.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.99 155.37 20.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 38.7 t -75.49 126.65 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.01 34.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.56 -46.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.0 p -109.92 -21.5 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.22 18.51 69.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.55 133.1 37.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.81 120.86 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -94.72 -174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -166.47 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.8 p -76.37 174.27 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 155' ' ' THR . 5.8 m -72.75 61.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 167' ' ' LYS . 98.6 m -123.01 31.12 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -99.97 166.45 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.234 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.83 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.68 117.62 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.788 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 14.1 p-10 -95.45 89.36 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -124.71 139.63 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 46.43 61.55 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 39.12 36.4 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.511 ' CB ' ' CZ ' ' A' ' 165' ' ' TYR . 4.1 mm-40 -134.77 152.03 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.874 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -112.43 130.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 163' ' ' GLU . 34.7 m-85 -137.57 -177.08 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.5 p -96.23 147.77 23.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 156' ' ' THR . 0.0 OUTLIER -46.52 -41.49 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.2 -30.88 64.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -80.85 -47.33 13.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.648 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 2.1 t80 -58.26 -32.67 68.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.38 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 173' ' ' ASN . 5.7 mmtm -47.36 -60.92 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 172' ' ' LYS . 5.1 m120 -39.56 -38.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.2 m-85 -123.46 58.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.972 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -125.74 110.69 14.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.5 t -69.29 107.78 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.92 4.61 60.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.84 -68.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.544 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.7 p -79.1 -25.62 43.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 8.7 tt0 86.44 27.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -119.76 145.95 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 134.56 48.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.047 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.7 t -99.35 119.52 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CZ ' ' CB ' ' A' ' 20' ' ' ALA . 2.1 p90 -69.99 125.41 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -37.8 105.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' CB ' ' CZ ' ' A' ' 18' ' ' TYR . . . -172.57 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -113.45 -74.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 43.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.676 HG11 ' CD2' ' A' ' 35' ' ' PHE . 69.5 t -78.37 117.09 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.85 162.4 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.15 164.81 20.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.14 111.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.95 55.13 1.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -179.04 168.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.23 127.5 1.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -134.61 171.38 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.047 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.9 m80 -64.96 172.19 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -59.86 3.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -62.01 -35.22 77.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HB3' HG11 ' A' ' 12' ' ' VAL . 17.9 m -58.36 -43.44 88.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.758 ' HE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -67.26 78.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -135.11 133.14 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -42.6 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.331 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 mmt -77.25 7.14 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.9 t -103.18 -72.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -74.16 -25.51 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.53 24.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.73 132.68 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.0 145.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 HG23 ' A' ' 49' ' ' VAL . 12.4 mt -122.19 144.01 49.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -138.15 175.81 9.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -67.91 104.41 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 48' ' ' THR . 10.2 t -167.57 -48.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 48' ' ' THR . 5.6 t -171.92 45.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.971 HG23 HD13 ' A' ' 44' ' ' LEU . 10.9 p -92.74 146.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.064 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -127.47 164.16 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 55' ' ' GLU . 3.4 t -123.7 151.55 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' CB ' ' OH ' ' A' ' 62' ' ' TYR . 7.6 t60 -176.82 145.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.02 56.14 7.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.35 41.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 9.8 mt-10 -141.9 171.95 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -124.09 135.2 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.5 m-85 -146.49 143.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.969 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.3 p -73.42 131.96 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -40.51 -52.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 58' ' ' CYS . 1.6 m -68.67 -55.55 11.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.064 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 3.9 m-85 -43.35 -51.25 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.41 80.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -61.97 -40.67 96.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -54.87 8.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 22.7 m-85 -57.44 -21.2 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.987 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.4 158.02 29.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -140.91 139.74 34.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.72 150.35 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -173.01 145.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.28 94.48 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.08 23.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -146.52 138.26 24.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.82 154.85 39.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.98 38.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.07 160.93 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.74 82.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.71 123.26 17.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.45 141.7 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 147.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER 175.78 175.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -94.6 170.91 30.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 49.5 t -96.68 109.39 48.12 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.561 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -67.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -82.05 -38.15 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.04 23.44 8.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.2 136.42 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.482 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.73 147.71 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.819 HG22 ' NE2' ' A' ' 139' ' ' HIS . 49.1 t -131.14 116.37 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.9 -51.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.62 -168.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.25 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.29 56.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 136.57 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -132.6 147.03 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -126.23 115.56 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.79 153.2 25.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.3 53.86 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 42.67 43.72 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.433 1.083 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -150.18 158.33 44.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 116' ' ' ASP . 6.1 m -117.94 139.0 51.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 0.972 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.02 171.96 18.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.819 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.94 127.93 34.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -18.49 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -76.76 -52.69 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.9 m -69.24 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.096 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -33.79 103.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 140.86 28.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.416 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -41.48 126.95 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.2 -46.56 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.3 p -110.07 -19.55 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.01 18.62 71.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 119.58 24.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 86.4 p -56.24 140.3 45.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -108.02 -175.0 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 178.84 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 176.31 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 155' ' ' THR . 7.9 t -73.19 58.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.783 HG23 ' HD3' ' A' ' 167' ' ' LYS . 26.6 m -130.8 33.14 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.908 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.7 OUTLIER -109.13 -178.56 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.908 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.13 117.23 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 12.9 p-10 -93.38 99.79 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.51 96.66 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 41.35 58.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 94.89 -49.53 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.1 mt-10 -52.23 158.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.096 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.8 pt -133.83 133.21 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -144.4 -175.3 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.8 p -98.49 148.89 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.783 ' HD3' HG23 ' A' ' 156' ' ' THR . 8.3 pttm -47.04 -39.53 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -60.01 -30.0 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.1 m -81.54 -48.15 12.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.645 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -58.35 -33.39 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.19 -62.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.8 OUTLIER -47.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 172' ' ' LYS . 7.9 m-20 -39.42 -38.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.6 m-85 -122.08 58.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD2' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.63 127.23 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.1 t -84.23 108.41 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.35 61.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.47 -68.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.531 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.82 -24.3 48.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.1 tm0? 83.7 26.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.31 144.89 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 156.89 15.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.057 HG22 ' NE2' ' A' ' 31' ' ' HIS . 43.9 t -130.72 161.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.412 ' N ' HG12 ' A' ' 17' ' ' VAL . 78.6 m-85 -95.02 176.09 6.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 76.7 t80 -83.48 69.69 10.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.67 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.1 mm-40 -62.84 -44.15 96.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -40.42 124.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.78 HG11 ' HD2' ' A' ' 35' ' ' PHE . 57.3 t -118.21 117.19 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.05 126.14 30.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.79 138.71 44.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.6 ' O ' HG11 ' A' ' 51' ' ' VAL . 8.7 mm-40 -39.16 105.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.94 -56.02 0.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.77 177.53 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.434 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 87.5 p -113.49 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.58 164.67 26.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.057 ' NE2' HG22 ' A' ' 17' ' ' VAL . 38.6 m80 -57.42 162.35 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -58.64 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.73 -30.11 71.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -57.82 -42.84 85.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.881 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -64.54 75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 41.9 t -42.07 114.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.29 13.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.1 t -112.62 -72.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 p -75.34 -20.6 58.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.339 179.924 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER 78.03 22.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 134.97 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.412 ' N ' HD12 ' A' ' 36' ' ' LEU . 13.6 m120 -60.78 142.48 55.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.938 HD22 HG23 ' A' ' 49' ' ' VAL . 2.9 mt -112.58 157.17 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.93 174.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.592 ' O ' HG22 ' A' ' 47' ' ' THR . 23.8 m -88.4 41.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -128.77 8.19 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG23 HD22 ' A' ' 44' ' ' LEU . 9.2 p -80.26 155.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -139.59 164.46 29.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' O ' ' A' ' 26' ' ' GLU . 4.4 t -120.01 173.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.575 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -162.51 169.71 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.608 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.71 100.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 43.73 52.47 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -163.95 162.24 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 36' ' ' LEU . 3.0 pt -127.11 128.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.8 m-85 -136.21 154.18 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.4 p -90.41 158.68 16.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -39.26 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.7 m -33.65 -68.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 m -41.98 -54.19 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -43.72 -64.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.22 -16.35 41.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -73.65 -52.51 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -53.83 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -61.44 -40.12 93.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.987 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.94 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.3 169.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -176.43 169.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.65 174.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.98 148.91 19.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.79 5.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -168.45 161.11 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -163.48 99.83 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.56 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -157.28 167.74 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -177.01 170.95 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -178.84 170.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.9 167.37 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.3 ptm -162.54 170.52 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -167.26 -156.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -126.25 170.71 18.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.504 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 36.7 t -100.12 108.29 51.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 138' ' ' TRP . 18.5 Cg_endo -74.98 0.21 9.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -93.0 -69.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.507 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 14.1 p -77.33 -33.74 55.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.133 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.38 23.43 16.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 125' ' ' VAL . 3.3 mt-30 -112.6 135.83 52.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.49 145.93 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.728 HG12 ' HG3' ' A' ' 130' ' ' LYS . 59.3 t -133.25 129.81 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.95 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -72.25 -168.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.47 147.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 72.88 56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.728 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpt -129.51 101.05 5.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.3 p -93.18 148.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 130' ' ' LYS . 4.3 mp -127.29 115.36 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.86 20.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 45.49 57.03 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.99 42.05 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -146.01 162.05 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.2 OUTLIER -120.97 141.45 50.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.35 171.06 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.507 ' CE1' ' SG ' ' A' ' 121' ' ' CYS . 40.6 m80 -69.07 128.0 35.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -67.12 70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 139' ' ' HIS . 6.0 p 166.55 -50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.968 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.6 p -60.95 -27.6 68.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 1.011 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.05 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.59 137.09 45.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 145' ' ' CYS . . . . . 0.717 ' HB2' HD21 ' A' ' 152' ' ' LEU . 34.0 t -64.32 128.74 37.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 35.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.512 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.9 OUTLIER -135.84 -46.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.3 p -109.58 -17.25 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 72.58 16.11 77.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.85 133.46 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 t -68.03 121.5 16.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -88.99 -173.3 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.1 71.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.05 53.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 155' ' ' THR . 21.3 m -132.92 56.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 167' ' ' LYS . 94.8 m 49.44 91.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -99.66 127.83 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -84.47 154.16 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.836 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -131.29 95.34 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.62 99.58 11.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 13.8 m-20 38.57 70.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.08 -48.99 4.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 30.9 mm-40 -53.1 149.08 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 1.011 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.2 pt -127.25 134.67 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 42.7 m-85 -143.36 -177.01 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -96.85 144.13 27.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HB3' HG22 ' A' ' 156' ' ' THR . 2.0 pttt -46.11 -40.71 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.15 -31.37 65.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 169' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -80.39 -47.78 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 170' ' ' TYR . . . . . 0.472 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.77 -32.59 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.04 -63.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.3 -61.94 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.459 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 51.6 t-20 -38.76 -38.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.8 m-85 -123.73 58.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 154.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.52 -63.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 107.997 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.9 -126.88 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.77 -173.43 23.6 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA2' ' CD2' ' A' ' 19' ' ' PHE . . . 175.99 -173.94 46.59 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -102.74 177.09 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' SER . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -39.7 160.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.79 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -104.98 -63.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.71 -161.85 32.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -97.65 176.14 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.85 -140.16 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.43 -147.23 8.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -164.7 169.83 16.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.65 -171.51 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.97 175.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.7 151.16 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -172.53 155.51 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 tp -172.14 147.52 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 t -169.17 143.33 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -172.58 151.98 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 179.56 140.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.89 162.16 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.33 113.98 2.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.19 126.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.3 p -179.44 137.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.39 150.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.237 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.532 ' N ' HD22 ' A' ' 88' ' ' LEU . . . 175.03 160.85 23.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tt -173.6 154.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -163.7 158.65 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -167.01 168.16 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.76 171.06 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.26 170.64 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.78 163.43 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.14 141.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.8 131.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.04 172.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.18 -164.18 11.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.69 -129.09 2.9 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p 56.98 164.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.94 161.16 30.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.3 10.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 172.68 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -139.17 151.54 21.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -75.71 157.75 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -109.52 170.56 14.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -145.07 171.12 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -142.42 -167.6 11.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.96 164.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -116.33 -157.33 11.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.05 122.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -75.01 -128.32 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.52 156.54 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.551 HD13 ' N ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -142.95 176.35 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.488 ' C ' HD12 ' A' ' 189' ' ' ILE . 2.5 pp -121.0 168.47 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 162.76 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.35 132.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.91 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -95.21 166.43 11.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -129.55 161.71 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.56 162.93 11.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.29 153.52 8.76 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -145.39 15.35 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 178.67 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.59 159.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.92 158.81 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.77 -160.33 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -168.9 176.51 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.67 164.93 37.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 176.81 1.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.09 166.36 30.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.5 ttt -178.12 151.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.86 -163.76 10.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.06 175.73 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.76 175.17 43.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -154.46 160.46 41.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.82 174.69 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 t -170.28 153.46 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -163.63 138.94 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -145.47 163.15 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 176.58 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.84 156.5 18.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 179.41 159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -178.31 169.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.7 166.58 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.14 173.46 40.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.9 151.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.06 174.64 11.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -168.66 160.79 10.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.07 171.16 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -153.39 171.36 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.49 175.98 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -138.2 171.16 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -140.86 176.59 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.2 p -158.08 168.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.433 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -145.43 -170.76 14.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -117.56 151.32 18.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p -178.9 166.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -158.0 -145.41 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.64 8.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.72 121.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -91.31 174.93 38.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.51 168.67 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.31 157.36 29.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -110.46 167.72 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 147.56 89.48 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.82 162.2 6.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 172.49 152.5 8.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.21 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 102.85 73.99 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.96 -61.11 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.356 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.562 ' H ' HD12 ' A' ' 188' ' ' LEU . 4.9 mp -53.1 157.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.759 ' H ' HD13 ' A' ' 189' ' ' ILE . 0.2 OUTLIER -127.99 145.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -46.0 166.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.594 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 60.6 p -114.11 87.14 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.493 0.187 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 179.76 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.45 144.83 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -179.32 161.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.022 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.98 158.65 8.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.75 163.06 12.21 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.81 154.13 7.84 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -107.09 -179.09 3.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 35.7 t-80 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.24 158.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.99 5.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 170.93 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.89 -169.88 34.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.83 176.69 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.38 39.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.15 172.84 16.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.88 155.68 11.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.12 163.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.46 154.47 13.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.5 166.19 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -157.55 169.52 34.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -154.68 164.34 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 80' ' ' LEU . 1.1 pt? -165.54 162.18 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.97 160.61 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -149.94 159.96 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.34 158.26 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 164.04 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.61 162.49 11.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -171.14 157.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.8 m -159.46 157.69 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.6 162.2 39.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.38 140.41 2.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -172.55 146.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 145.34 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.7 152.99 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -179.62 136.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.25 158.87 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.89 147.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.38 159.33 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 158.22 3.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.87 144.0 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.87 -143.87 15.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.18 100.81 0.93 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p -178.41 170.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 169.82 81.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -87.05 138.73 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.74 -82.72 0.83 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.54 171.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 164.09 147.81 5.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.05 123.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -158.25 94.66 0.14 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.4 110.24 21.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.85 115.9 0.85 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -124.44 -61.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.77 97.42 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -76.02 121.45 22.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.05 103.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.6 tt -78.61 148.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 144.12 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.92 97.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.32 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -134.21 150.16 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -157.45 126.21 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.49 164.19 34.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.91 174.37 40.01 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.555 ' HA3' ' CD2' ' A' ' 18' ' ' TYR . . . -90.88 -127.2 3.6 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.1 169.68 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.57 170.24 2.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.23 40.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 154.04 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.02 -159.93 5.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -161.14 161.62 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.63 -146.09 9.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.98 163.61 32.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 -154.02 22.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.83 163.67 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.97 -144.65 13.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.49 176.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.5 -174.49 13.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -139.39 169.7 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.02 171.03 18.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.4 p -173.03 168.57 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -170.64 145.16 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -145.32 146.06 31.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -174.88 143.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.14 147.81 5.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.37 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t 177.92 145.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tp -177.17 158.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.28 106.37 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.27 157.78 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 131.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -173.52 118.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -177.5 132.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -177.32 146.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 102' ' ' ASN . 2.5 p-10 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -137.61 175.57 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.41 170.98 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 176.39 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.445 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.6 p -141.53 168.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -109.74 -157.55 17.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.5 158.3 14.39 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p -177.45 142.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 172.68 69.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.759 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.53 108.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -95.13 155.98 21.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -175.55 139.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 0.8 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.8 157.44 27.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -175.59 125.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -113.21 -177.74 19.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -160.73 154.45 22.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -150.98 144.75 12.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -163.49 166.11 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.64 167.68 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -166.37 117.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.68 130.15 20.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.98 143.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.62 168.54 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.01 116.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.68 108.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CG ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -179.63 160.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 4' ' ' TRP . . . 128.65 143.64 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.36 147.07 7.08 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 142.3 4.08 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.86 177.91 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.86 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -167.18 175.94 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.37 46.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 176.32 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.95 176.8 46.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -176.82 176.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.764 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.91 -178.86 45.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 168.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.45 36.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.37 175.31 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.06 -175.12 28.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -172.33 145.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.405 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.99 174.26 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 p -178.67 168.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -172.26 161.2 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -179.22 167.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 158.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.36 167.19 39.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.3 167.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p 178.84 168.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.46 175.47 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.67 159.63 20.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 pt -137.05 176.48 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.17 158.51 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.3 163.3 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -179.82 158.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -172.97 164.21 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -163.17 174.85 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.58 169.16 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -143.27 175.75 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.7 p -172.54 167.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -144.6 -156.22 6.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.71 155.88 17.52 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -178.18 159.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.73 -145.51 12.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 135.7 29.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -168.47 146.64 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -175.71 118.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -97.43 168.21 23.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -52.88 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 102.21 -135.88 12.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -123.51 165.53 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -137.32 177.74 19.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 52.64 175.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.75 -59.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.91 175.0 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.79 79.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 190' ' ' HIS . 42.0 pt -108.53 128.58 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 189' ' ' ILE . 0.0 OUTLIER -39.33 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 12.2 p -58.14 124.25 18.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.8 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.516 0.198 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.46 167.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 75.6 t-105 -121.01 167.25 12.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 4' ' ' TRP . . . -124.46 -159.07 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.75 -143.72 4.13 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.53 -153.52 6.02 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.45 173.55 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -124.71 116.46 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 41.7 t -79.38 107.73 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.54 61.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.514 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.3 p -80.62 -19.99 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 79.43 27.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -118.45 149.96 40.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 138.15 45.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.012 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.8 t -104.86 145.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 158.91 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.15 96.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.0 -60.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' GLU . 42.6 mp0 -106.68 -77.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLU . 11.7 pt-20 38.38 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' HD2' ' A' ' 35' ' ' PHE . 40.7 t -78.96 117.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -76.17 145.6 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 77.2 m -147.82 156.21 42.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -40.46 116.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 39.33 52.82 2.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 175.59 172.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.4 p -161.67 132.8 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -137.46 167.63 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.012 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.3 m80 -60.44 168.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.0 tttm -60.48 -44.08 96.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.37 34.26 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 m -129.52 21.69 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 108.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.873 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -129.01 86.66 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -144.79 134.43 23.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.7 t -47.67 112.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 5.89 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.823 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.1 t -101.86 -73.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.6 p -72.44 -23.34 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.347 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 81.45 23.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.01 134.49 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -45.15 153.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.008 HD22 HG23 ' A' ' 49' ' ' VAL . 10.1 mt -117.37 174.11 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.21 166.41 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 94.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -167.33 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 48' ' ' THR . 14.9 t -166.9 59.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.008 HG23 HD22 ' A' ' 44' ' ' LEU . 4.2 p -110.49 159.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.063 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -151.88 163.3 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' C ' ' HH ' ' A' ' 62' ' ' TYR . 3.3 t -124.22 166.66 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -164.35 121.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.04 -107.05 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.25 43.33 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mp0 -148.87 164.21 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -131.38 135.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.823 ' CD1' HG23 ' A' ' 39' ' ' VAL . 9.0 m-85 -140.67 166.57 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.55 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.1 p -93.64 134.54 35.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CB ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -41.16 -55.98 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LYS . 47.8 t -38.65 -42.06 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.3 m -70.62 -57.95 4.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.063 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 6.0 m-85 -40.31 -51.37 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.72 79.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -39.42 81.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -53.84 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 23.4 m-85 -57.84 -18.71 23.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.53 98.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 178.2 7.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -133.37 175.73 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.72 158.91 23.66 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 163.25 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.14 153.8 7.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -174.4 170.04 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.71 153.62 7.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.6 ptm -179.22 163.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.94 164.97 27.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.12 172.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.1 164.11 32.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -172.65 149.22 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -176.53 151.61 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.3 p -162.44 167.85 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 t -172.67 151.07 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -168.84 166.97 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -158.8 176.78 11.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.0 -176.19 37.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.94 165.53 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 t -175.61 156.35 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.554 ' N ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -154.1 176.84 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.08 154.28 7.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.1 tt -170.63 161.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -175.82 151.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -171.73 158.0 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.94 155.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.08 162.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.88 151.24 5.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.53 161.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.6 p 177.81 144.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -173.89 150.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -177.95 85.31 0.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.56 42.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.2 t -172.63 144.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 26.6 p-10 177.6 99.85 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.96 154.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -179.46 155.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.98 153.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.64 152.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.19 159.96 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.13 151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 151.64 2.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.2 p -172.77 143.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.17 -173.65 27.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.83 154.69 8.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.9 p 54.96 170.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.76 -156.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -124.42 171.58 16.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.81 108.01 51.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.98 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.421 ' HA ' ' NH1' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -95.91 -71.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.454 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 23.1 p -76.56 -30.95 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.75 -23.29 31.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.18 143.24 57.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -62.61 160.2 14.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.715 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.7 t -133.07 119.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.6 t80 -153.34 138.68 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.16 -159.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.66 140.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.93 58.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -144.77 100.25 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.1 p -93.27 148.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.41 115.76 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.63 18.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.6 59.97 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.03 40.03 1.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -144.02 166.05 26.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -125.44 147.78 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.017 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.28 171.28 12.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.715 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.6 m80 -71.64 126.28 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 4.8 tttt -67.73 69.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.5 t 170.62 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.6 p -72.3 -30.65 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.953 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.57 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -121.4 148.09 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.555 ' N ' HD11 ' A' ' 152' ' ' LEU . 35.0 t -60.99 127.65 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.51 35.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 -46.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.11 -21.2 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.79 72.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.68 158.37 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.7 p -82.27 145.13 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.555 HD11 ' N ' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -134.05 -174.44 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 -64.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 156' ' ' THR . 0.6 OUTLIER -160.57 151.55 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 157' ' ' LEU . 69.3 m 67.85 -64.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' SER . 67.8 p -44.69 -26.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -73.37 146.51 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.886 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -127.64 118.88 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.689 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 38.8 p-10 -90.54 95.87 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -118.33 126.31 51.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 33.6 t0 55.25 27.67 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.83 -28.73 6.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -69.2 163.24 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.953 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -122.09 129.4 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 36.3 m-85 -138.04 -173.7 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.7 p -94.76 148.0 22.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -45.98 -42.18 12.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.08 -31.33 65.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 2.2 m -79.08 -46.62 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.469 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -57.75 -31.95 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.35 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 173' ' ' ASN . 60.2 mttm -47.92 -66.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.4 t-20 -38.35 -33.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' ALA . 81.3 m-85 -119.03 58.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -169.87 67.3 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 168.15 25.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -171.81 62.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 153.26 -131.36 3.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -123.54 172.64 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -147.05 -167.76 13.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -112.13 134.79 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -63.86 145.29 49.69 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -125.6 164.48 20.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 0.725 . . . . 0.0 110.306 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -124.22 -179.57 15.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -157.56 146.16 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.32 142.7 4.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -176.16 144.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.66 62.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 189' ' ' ILE . 0.8 OUTLIER -171.25 67.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -106.95 70.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 11.7 p -92.15 134.11 35.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.5 167.82 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.56 175.92 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.85 -141.09 9.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.83 -145.68 8.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . -141.33 -137.88 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -102.0 179.31 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.44 44.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -89.63 108.87 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.42 5.05 61.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.776 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -97.04 -67.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.7 p -78.91 -27.5 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 86.57 28.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -119.09 150.76 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 154.68 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.939 HG22 ' NE2' ' A' ' 31' ' ' HIS . 46.0 t -132.52 144.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -80.49 -179.84 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.8 m-85 -93.93 78.35 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 169.85 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 pt-20 -60.17 -37.04 78.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -39.21 130.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.4 t -122.14 118.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -80.51 136.86 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.407 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 3.8 t -141.5 139.48 33.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 105.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.75 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.4 176.91 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -113.58 132.07 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -127.63 170.99 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.939 ' NE2' HG22 ' A' ' 17' ' ' VAL . 49.3 m80 -58.2 171.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -71.06 -45.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.8 p -72.07 -35.55 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.42 -42.16 81.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.847 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.3 t80 -68.5 75.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -136.66 134.41 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.7 t -48.47 112.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 9.67 4.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.0 t -105.14 -68.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 13.1 p -78.57 -27.31 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.321 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 87.75 24.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.24 129.0 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -56.2 146.44 23.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 58' ' ' CYS . 14.9 mt -124.74 115.83 21.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.62 61.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.49 171.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' THR . 42.1 p -55.78 -165.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 48' ' ' THR . 2.1 m 62.71 12.62 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.0 p -100.81 148.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -129.81 162.85 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 52' ' ' HIS . 3.6 t -123.64 168.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.448 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.6 OUTLIER -165.65 108.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.48 -108.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.36 38.96 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 21.5 mm-40 -146.71 157.81 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -122.92 139.75 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.895 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.9 m-85 -144.52 142.56 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.764 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.8 p -75.67 137.63 40.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -44.66 -56.26 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.4 m -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 5.6 m -68.31 -56.52 8.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.893 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.4 m-85 -43.81 -51.06 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.87 -30.68 70.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.24 92.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.95 -60.37 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -56.58 -21.73 28.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.89 157.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.7 4.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.68 173.4 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.75 176.68 45.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.25 176.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.38 176.51 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -174.06 176.22 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 73' ' ' LYS . . . 160.84 157.05 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -179.11 170.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.08 160.01 11.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.15 176.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.38 151.88 6.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.1 p -144.37 178.74 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -177.21 174.17 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.08 168.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -172.65 166.37 5.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -178.02 167.85 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.26 176.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.97 177.87 47.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.11 171.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.38 170.55 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -174.23 176.77 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.615 ' H ' HD23 ' A' ' 88' ' ' LEU . . . 168.47 162.22 20.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 tp -172.64 151.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -169.96 153.77 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.96 174.43 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -177.85 171.47 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.52 171.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.48 173.27 46.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.48 171.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.21 170.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.81 174.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 ttp-105 -178.99 94.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -170.86 165.58 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -173.48 99.71 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -173.76 159.6 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.92 171.05 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.2 p -177.37 169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.73 165.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -179.03 168.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -177.13 174.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.06 170.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -175.12 161.17 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -168.88 161.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.36 -173.95 30.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.35 163.47 36.74 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.1 p -178.46 168.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.991 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.99 -154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.26 21.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.592 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 42.5 t -101.79 106.49 47.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.612 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 -0.04 9.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.69 -66.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.52 -38.47 23.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.36 -24.36 9.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.39 144.24 57.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -60.67 164.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.92 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -134.01 116.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -155.65 -58.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.03 -171.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.27 149.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 80.2 58.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -120.87 97.51 5.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 138' ' ' TRP . 3.8 p -90.64 151.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.5 mt -138.24 114.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.88 152.23 24.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.23 57.88 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.06 38.84 0.84 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.562 ' HE3' ' CH2' ' A' ' 138' ' ' TRP . 0.4 OUTLIER -142.73 161.54 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.426 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -121.27 142.03 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.803 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.6 -175.94 5.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.92 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -81.36 139.68 35.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -78.22 50.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 p -158.21 -43.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 1.7 m -81.83 -29.06 32.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.171 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.6 t80 -52.75 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 0.5 OUTLIER -125.74 159.9 31.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 11.8 t -63.19 130.86 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.52 38.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -141.38 -47.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.08 -21.85 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.75 86.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -60.75 126.94 29.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.465 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 30.7 t -68.7 141.11 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.86 -174.01 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -154.06 -58.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 p 167.06 78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 156' ' ' THR . 32.8 p -141.32 -63.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 155' ' ' THR . 61.2 p -151.74 70.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -102.16 139.07 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -95.25 152.95 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.649 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.7 OUTLIER -130.45 100.47 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 174' ' ' PHE . 0.4 OUTLIER -94.88 89.51 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 37.67 69.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 95.64 -52.32 1.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -56.25 151.27 12.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.171 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -131.73 132.54 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 59.9 m-85 -141.23 -178.51 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 169' ' ' CYS . 27.1 p -94.76 145.99 24.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -46.74 -40.71 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.45 63.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.9 m -81.76 -47.58 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.51 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 2.2 t80 -57.96 -32.29 67.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.55 -63.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 173' ' ' ASN . 33.9 mttp -46.78 -61.99 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.497 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 59.3 t-20 -39.21 -39.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 160' ' ' LYS . 1.5 m-85 -121.2 60.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -128.72 -85.46 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.61 20.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -99.68 176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 72.0 87.91 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 171.12 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -144.25 170.87 25.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 181' ' ' PHE . 8.8 p90 -136.64 162.68 32.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -155.98 114.16 0.6 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -52.59 142.33 18.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -178.35 62.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -156.76 63.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -84.07 -156.05 22.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -155.51 109.49 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.26 108.98 10.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.56 HD13 ' N ' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -81.53 127.67 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.56 ' N ' HD13 ' A' ' 189' ' ' ILE . 0.0 OUTLIER -83.52 141.21 31.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 10.0 p 58.36 112.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.9 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.99 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.772 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.69 167.68 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -165.78 158.8 15.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 107.955 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.94 166.65 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.22 179.96 48.81 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.85 -179.34 47.92 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -110.79 177.07 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -130.98 119.15 21.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -79.58 106.54 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.9 4.12 62.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.52 -68.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.613 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.04 -23.82 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.74 27.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' NZ ' ' H ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -117.72 149.81 40.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' H ' ' NZ ' ' A' ' 15' ' ' LYS . . . -69.23 145.73 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.009 HG22 ' NE2' ' A' ' 31' ' ' HIS . 48.4 t -115.1 158.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.14 131.09 41.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.97 101.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . -179.83 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -143.67 49.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.09 150.26 23.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 45.3 t -127.8 123.05 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -104.01 146.35 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.94 135.51 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.45 104.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.74 -55.52 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -154.11 172.88 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.16 134.38 51.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -132.06 164.93 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.009 ' NE2' HG22 ' A' ' 17' ' ' VAL . 66.7 m80 -57.49 160.21 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.2 tttp -57.07 -38.11 72.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.99 20.45 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 16.6 m -120.72 28.2 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.976 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.2 t80 -124.97 68.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -134.57 134.51 41.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.6 t -47.95 113.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 9.27 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -103.68 -67.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -79.85 -26.42 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 5.1 tttt 87.28 23.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 129.82 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.611 ' OD1' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.72 146.88 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 49' ' ' VAL . 18.2 mt -124.84 156.76 37.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -153.88 78.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.9 m 55.03 167.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 48' ' ' THR . 26.9 m 62.61 109.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 47' ' ' THR . 1.9 m 84.46 -45.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.976 HG21 ' CE1' ' A' ' 35' ' ' PHE . 12.3 p -49.09 144.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -132.49 166.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.68 147.25 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 32.8 t-80 -155.83 122.1 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.53 -101.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -129.49 52.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -165.9 160.03 16.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -110.67 142.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.953 ' CD1' HG23 ' A' ' 39' ' ' VAL . 24.6 m-85 -146.29 129.02 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.7 p -65.13 143.56 57.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 108.269 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.11 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -30.36 -58.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.5 m -50.59 -60.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -41.54 -61.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.85 -21.65 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -76.8 -38.75 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -57.96 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -63.98 -45.79 87.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.52 98.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 175.08 11.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -153.41 175.02 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 -175.02 35.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.37 175.63 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.08 175.48 47.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.09 175.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.85 -171.26 32.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 ttm -178.8 168.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.73 -173.78 35.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.25 174.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 164.94 30.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -171.39 163.93 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 81' ' ' SER . 0.3 OUTLIER -176.11 143.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.627 ' N ' HD13 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -176.18 165.33 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -171.43 163.82 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 174.64 167.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.25 175.01 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.59 162.08 21.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.5 152.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.52 164.02 4.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.83 164.38 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.48 6.97 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -172.24 151.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.65 164.2 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -173.72 162.78 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.44 165.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 179.73 169.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.56 156.96 8.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.36 167.13 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 165.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 174.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 93.85 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.88 6.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -171.58 161.66 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.6 t30 179.7 99.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -162.54 167.65 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.47 175.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.8 p 178.57 169.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 168.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ttp -178.9 162.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.04 165.37 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -176.62 170.17 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 166.05 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.5 p -170.95 151.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.94 179.41 30.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -175.13 148.67 9.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -161.72 150.46 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 125' ' ' VAL . 1.3 m-20 179.17 175.58 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -96.81 171.46 27.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 40.8 t -98.17 108.96 49.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 18.2 Cg_endo -75.06 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -94.58 -69.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.6 p -80.04 -34.99 37.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.27 22.99 11.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 137.95 46.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.41 148.25 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.851 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.7 t -129.72 116.03 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.612 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.9 p90 -178.02 129.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 77.59 93.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 61.65 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.66 48.11 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.48 ' CB ' HG12 ' A' ' 125' ' ' VAL . 3.7 pttp -135.73 118.0 15.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.009 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -114.52 146.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -125.45 115.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.47 152.21 24.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 49.59 40.93 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.46 41.05 71.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.3 OUTLIER -148.42 159.94 43.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.478 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -116.12 138.91 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.009 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.8 173.76 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.851 ' NE2' HG22 ' A' ' 125' ' ' VAL . 35.3 m80 -80.11 117.82 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.643 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 153' ' ' GLU . 0.7 OUTLIER -43.68 -27.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -66.65 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.91 -45.71 92.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.955 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -47.42 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 21.5 ptt85 -144.09 144.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.496 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.5 t -41.82 129.24 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.19 33.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -135.32 -46.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.6 p -110.11 -18.02 13.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.9 0.03 89.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 121.96 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 36.7 t -60.15 144.23 50.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -113.68 -175.04 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 140' ' ' LYS . 1.8 mt-10 -143.74 -68.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.3 p 168.62 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 m -157.73 -58.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 10.1 t -105.25 43.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.935 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -102.71 144.84 30.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.935 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.41 119.61 27.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -97.8 105.38 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.71 91.86 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 160' ' ' LYS . 50.2 m-20 40.56 58.87 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.75 -51.49 0.98 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.538 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 3.5 mt-10 -53.96 161.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.955 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.0 pt -135.62 131.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 60.7 m-85 -144.78 -175.12 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.0 p -99.28 149.11 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -46.62 -42.88 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.33 -29.8 60.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 3.6 m -83.23 -47.32 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.484 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.4 t80 -57.59 -31.45 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.88 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 38.5 mttt -48.06 -65.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.1 t30 -38.54 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 171' ' ' ALA . 80.2 m-85 -120.39 58.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -145.59 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.72 163.88 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -96.68 -134.93 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.0 166.77 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.65 -160.54 11.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -172.37 131.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -136.94 140.84 11.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 167.56 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -163.6 -168.13 25.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 60.77 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -172.16 -166.97 31.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -77.11 160.89 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.53 62.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.8 mp 47.62 91.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -90.58 62.28 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 192' ' ' GLN . 0.3 OUTLIER 74.82 -58.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 191' ' ' SER . 6.2 tp60 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.526 0.203 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -167.59 167.28 13.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -169.05 162.13 10.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 108.058 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.85 -148.69 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.91 -158.0 8.2 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.48 -157.79 9.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.47 -177.56 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -135.28 118.74 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 38.5 t -73.9 107.98 6.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.46 61.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.03 -67.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.4 p -78.56 -25.61 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 108.27 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.3 tp-100 85.99 27.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -119.13 145.25 46.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.12 12.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.005 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.8 t -126.99 158.58 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -132.71 131.69 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.8 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.2 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -144.74 50.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 32.7 tt0 -105.54 148.03 27.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 60.2 t -124.17 118.65 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.6 pt20 -107.55 136.54 47.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.17 145.2 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 116.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.44 -53.89 0.64 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -167.04 173.2 9.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 95.0 p -125.55 135.64 52.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.704 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -127.12 163.43 23.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.005 ' NE2' HG22 ' A' ' 17' ' ' VAL . 44.6 m80 -61.12 143.6 55.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -42.34 -55.8 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.18 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 m -62.02 -45.93 91.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 6.1 t80 -64.46 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.763 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -134.74 139.72 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -51.45 113.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.7 mmt -78.77 10.97 2.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.88 HG23 ' CD1' ' A' ' 57' ' ' TYR . 38.6 t -107.13 -69.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.5 p -78.05 -27.46 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 87.52 25.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -102.2 125.35 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.2 t30 -59.53 148.92 31.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 49' ' ' VAL . 2.1 mt -128.43 164.39 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -116.78 -80.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.513 ' C ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER 175.42 94.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 46' ' ' SER . 33.7 p -157.0 -54.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 48' ' ' THR . 14.5 t -143.95 47.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.1 p -100.89 150.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -124.39 164.41 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.38 158.6 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 1.8 t-80 -153.12 110.4 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.22 -98.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.73 46.38 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -151.97 166.67 30.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.763 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -126.14 138.38 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.88 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.7 m-85 -143.33 141.22 30.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.623 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.2 p -73.5 137.17 44.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.91 -62.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -33.61 -52.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.3 m -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.696 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.18 -54.2 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.86 -21.82 71.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' CYS . 2.5 mtmt -76.37 -35.31 58.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -73.7 -60.61 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -64.72 -48.37 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.57 98.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 179.67 5.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.94 175.95 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -147.84 -167.63 13.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.11 176.18 3.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.72 177.64 43.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.16 176.51 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.47 155.88 7.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -179.39 170.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.85 163.29 13.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.94 175.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 0.0 109.325 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.05 158.95 29.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.1 p -132.51 177.91 7.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -161.97 176.39 10.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.3 169.39 10.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.3 t -172.33 164.39 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -170.96 166.32 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.19 174.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.64 177.67 47.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.59 170.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.751 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -178.49 151.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.8 168.37 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 165.92 149.24 5.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.5 175.9 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.2 163.01 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -173.53 166.77 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.94 156.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -178.41 165.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.09 156.88 10.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.89 168.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 170.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 174.28 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -171.86 95.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 t -170.42 160.07 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -169.92 131.55 1.0 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.82 5.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -153.58 166.88 31.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.31 173.71 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -177.55 170.38 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.51 168.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.71 173.1 2.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -176.63 169.96 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -176.31 155.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.5 p -167.25 167.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -177.67 172.06 44.73 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 175.96 129.25 1.2 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.5 p 177.83 161.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -164.03 -153.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.44 172.76 21.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.6 t -101.49 107.53 51.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.97 1.19 8.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -70.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.514 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 18.6 p -77.66 -29.45 51.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 108.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.61 22.94 27.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.55 135.98 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -49.88 152.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.84 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -133.24 123.69 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -166.39 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . -110.21 119.78 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.31 132.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.11 54.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -122.18 112.93 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -133.06 148.44 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -128.52 115.09 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.62 149.96 22.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.554 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 49.44 49.03 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.0 36.63 21.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.5 OUTLIER -141.37 163.77 32.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.435 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 2.1 p -123.96 139.57 53.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.984 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -163.48 174.85 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.84 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.7 m80 -78.07 121.44 24.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -48.12 -23.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -71.6 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.64 -45.19 93.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.152 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.4 t80 -46.09 98.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 8.5 ptt85 -140.97 156.13 46.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.3 t -52.33 127.95 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.43 35.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -46.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.04 -21.46 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.46 19.52 64.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.29 118.16 24.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 79.1 p -55.85 140.02 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.43 -173.92 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.15 -49.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t 179.38 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.041 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.0 m -84.71 160.21 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 156' ' ' THR . 19.9 m 62.81 25.43 15.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -116.45 132.9 56.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.826 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -94.79 142.74 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.554 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -130.18 98.82 4.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 78.51 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.64 -77.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -115.99 -27.21 3.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.8 mp0 -77.3 156.92 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.152 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.9 pt -133.21 139.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 45.8 m-85 -148.95 -174.39 4.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.7 p -100.94 143.02 31.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -46.16 -40.64 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.47 -30.93 59.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 10.2 m -83.8 -49.06 9.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.3 t80 -54.87 -30.88 58.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.18 -63.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 7.0 mmtm -48.34 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.3 t30 -39.67 -30.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -115.02 54.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -100.98 -145.48 17.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.24 156.93 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 177.12 -163.19 31.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -112.65 132.45 55.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.8 -161.29 12.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -135.86 -52.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 108.78 65.68 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -59.27 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -108.1 154.8 16.45 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -145.34 78.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -170.16 74.41 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -78.45 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 3.8 tp -149.03 127.13 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tt -104.97 155.33 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -110.39 138.96 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.72 108.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.7 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.49 0.186 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.98 179.55 5.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -141.88 167.71 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -161.47 162.11 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.056 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.74 19.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.06 -171.95 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 -164.36 33.69 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.29 170.34 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.58 115.2 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 43.1 t -69.91 107.76 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.67 1.07 63.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.9 t -92.74 -72.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.631 ' N ' HG12 ' A' ' 12' ' ' VAL . 15.1 p -72.84 -27.22 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 88.16 21.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -102.65 -175.57 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.88 125.85 54.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.053 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.3 t -94.47 118.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -97.17 -62.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.73 104.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.52 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 32' ' ' LYS . 6.3 pt-20 -169.1 61.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.02 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 35' ' ' PHE . 48.1 t -118.35 117.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.7 pp0? -101.93 140.44 36.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.88 134.56 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.1 105.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.39 -56.28 0.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -153.62 171.65 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 90.0 p -135.61 140.27 44.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.673 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -136.93 166.74 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.053 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -65.11 140.2 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -40.25 -54.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -44.14 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.766 ' HB3' HG11 ' A' ' 12' ' ' VAL . 72.6 m -59.19 -45.24 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.83 ' HE1' HG21 ' A' ' 49' ' ' VAL . 7.3 t80 -61.8 88.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -139.39 134.06 31.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.6 t -44.53 112.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.57 6.31 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.4 t -101.73 -72.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.1 p -73.39 -25.04 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 tptm 83.34 24.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.49 136.89 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.6 p-10 -45.45 145.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.5 mt -128.0 156.28 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.4 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -75.54 60.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 48' ' ' THR . 2.3 m -158.47 126.13 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 47' ' ' THR . 9.4 t 45.41 38.13 3.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG21 ' HE1' ' A' ' 35' ' ' PHE . 4.1 p -110.2 156.01 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -142.54 164.23 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.1 t -121.88 157.21 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 177.49 153.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 45.11 55.2 6.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER 39.35 43.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -149.63 173.9 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -114.93 137.54 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.881 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.1 m-85 -143.46 141.9 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.779 ' HB3' HD21 ' A' ' 44' ' ' LEU . 30.0 p -71.02 146.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -38.13 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 48.1 m -32.73 -69.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' LYS . 38.7 m -41.78 -54.07 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.22 -56.02 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.62 -18.25 67.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -76.0 -50.65 14.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.81 -48.16 75.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.2 m-85 -65.73 -48.55 71.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.57 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 162.03 34.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -175.8 172.7 45.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' GLY . 3.3 tttm -175.15 145.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . . . -164.43 171.19 39.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -168.3 172.18 8.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . -153.49 -177.41 26.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.0 ttp -177.07 163.68 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.0 170.59 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.27 173.15 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.32 144.83 4.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.9 t -167.09 140.93 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mp -136.1 176.3 8.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.4 p -178.4 148.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -171.99 156.49 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -173.11 143.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 167.15 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.85 142.67 4.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.43 154.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.49 141.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.662 HD13 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -177.2 145.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.662 ' H ' HD13 ' A' ' 88' ' ' LEU . . . 166.85 135.46 1.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 89' ' ' GLY . 4.8 mp -143.98 140.44 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -160.02 161.37 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -170.48 148.61 3.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.56 165.46 14.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.98 167.85 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.02 160.12 32.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -148.99 137.61 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 147.9 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.56 173.57 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.37 88.33 0.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -144.34 142.58 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -147.11 132.66 9.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.34 7.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -169.72 120.39 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.0 140.84 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -159.85 150.53 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.84 148.59 28.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtp -118.0 149.13 41.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -154.37 118.87 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -167.0 116.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.71 142.4 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.19 147.89 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.43 158.18 30.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -163.18 94.73 0.12 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 178.68 170.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 109.972 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER -178.26 171.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -95.28 170.17 28.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.4 t -96.91 109.97 51.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.577 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -93.17 -69.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -81.81 -35.21 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.64 -27.4 10.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.09 143.32 48.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -64.12 157.27 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.831 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.5 t -131.52 116.04 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 127' ' ' ALA . 20.5 p90 -154.26 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 126' ' ' TYR . . . -85.56 -168.52 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.22 156.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 69.13 54.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.53 ' CG ' HG12 ' A' ' 125' ' ' VAL . 17.2 ttpt -130.87 132.88 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.987 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.23 147.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.3 mt -126.78 115.86 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.34 154.98 25.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.83 49.26 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.65 40.47 11.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.56 165.58 29.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.96 138.03 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.987 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.98 172.53 18.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.831 ' NE2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -79.4 119.98 23.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -43.77 -27.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -68.38 -55.12 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 144' ' ' ARG . 4.7 m -67.35 -56.95 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.1 t80 -34.53 95.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -133.93 148.54 51.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.608 ' HB2' HD21 ' A' ' 152' ' ' LEU . 33.0 t -54.97 129.08 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -136.12 -47.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.64 -21.47 12.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.16 76.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.36 156.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 p -90.15 133.82 34.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -103.07 -175.0 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.3 52.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.582 ' O ' HD23 ' A' ' 157' ' ' LEU . 0.2 OUTLIER 76.14 -57.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 15.0 t -80.42 159.44 25.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 156' ' ' THR . 60.5 m 54.43 32.14 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -114.05 160.74 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.82 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -136.46 124.25 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 3.2 p-10 -104.1 102.04 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.99 90.93 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.9 t70 39.63 64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.37 -50.89 1.62 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.7 mp0 -54.9 156.33 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.614 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.6 pt -133.08 129.71 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 58.8 m-85 -141.74 -174.5 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -99.64 147.53 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -42.32 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.07 -30.76 60.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.3 m -82.2 -47.57 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.468 ' HB2' ' CB ' ' A' ' 158' ' ' ALA . 2.3 t80 -57.11 -31.71 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.75 -64.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 10.3 mmtp -48.63 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.0 t30 -39.04 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' N ' ' C ' ' A' ' 172' ' ' LYS . 76.6 m-85 -118.02 56.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -161.0 -163.71 14.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.65 39.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.99 168.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 174.48 -88.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 53.06 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -87.22 -86.95 1.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.5 t80 53.17 100.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -171.47 79.78 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -125.52 151.84 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -99.72 -160.1 28.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -171.57 107.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -111.71 153.12 17.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.93 -61.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.93 149.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.7 tt -159.21 155.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 64.8 123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.63 116.53 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 154.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.52 -63.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 107.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.9 -126.88 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.77 -173.43 23.6 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA2' ' CD2' ' A' ' 19' ' ' PHE . . . 175.99 -173.94 46.59 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -102.74 177.09 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' SER . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -39.7 160.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.79 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -104.98 -63.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.71 -161.85 32.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -97.65 176.14 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.85 -140.16 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.43 -147.23 8.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -164.7 169.83 16.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.65 -171.51 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.97 175.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.7 151.16 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -172.53 155.51 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 tp -172.14 147.52 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 t -169.17 143.33 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -172.58 151.98 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 179.56 140.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.89 162.16 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.33 113.98 2.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.19 126.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.3 p -179.44 137.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.39 150.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.237 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.532 ' N ' HD22 ' A' ' 88' ' ' LEU . . . 175.03 160.85 23.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tt -173.6 154.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -163.7 158.65 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -167.01 168.16 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.76 171.06 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.26 170.64 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.78 163.43 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.14 141.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.8 131.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.04 172.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.18 -164.18 11.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.69 -129.09 2.9 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p 56.98 164.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.94 161.16 30.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.3 10.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 172.68 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -139.17 151.54 21.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -75.71 157.75 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -109.52 170.56 14.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -145.07 171.12 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -142.42 -167.6 11.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.96 164.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -116.33 -157.33 11.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.05 122.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -75.01 -128.32 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.52 156.54 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.551 HD13 ' N ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -142.95 176.35 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.488 ' C ' HD12 ' A' ' 189' ' ' ILE . 2.5 pp -121.0 168.47 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 162.76 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.35 132.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.91 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -95.21 166.43 11.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -129.55 161.71 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.991 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.56 162.93 11.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.29 153.52 8.76 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -145.39 15.35 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 178.67 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.59 159.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.92 158.81 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.77 -160.33 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -168.9 176.51 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.67 164.93 37.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 176.81 1.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.09 166.36 30.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.5 ttt -178.12 151.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.86 -163.76 10.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.06 175.73 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.76 175.17 43.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -154.46 160.46 41.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.82 174.69 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 t -170.28 153.46 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -163.63 138.94 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -145.47 163.15 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 176.58 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.84 156.5 18.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 179.41 159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -178.31 169.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.7 166.58 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.14 173.46 40.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.9 151.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.06 174.64 11.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -168.66 160.79 10.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.07 171.16 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -153.39 171.36 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.49 175.98 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -138.2 171.16 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -140.86 176.59 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.2 p -158.08 168.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.433 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -145.43 -170.76 14.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -117.56 151.32 18.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p -178.9 166.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -158.0 -145.41 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.64 8.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.72 121.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -91.31 174.93 38.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.51 168.67 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.31 157.36 29.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -110.46 167.72 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 147.56 89.48 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.82 162.2 6.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 172.49 152.5 8.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.21 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 102.85 73.99 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.96 -61.11 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.356 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.562 ' H ' HD12 ' A' ' 188' ' ' LEU . 4.9 mp -53.1 157.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.759 ' H ' HD13 ' A' ' 189' ' ' ILE . 0.2 OUTLIER -127.99 145.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -46.0 166.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.594 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 60.6 p -114.11 87.14 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.493 0.187 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 179.76 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.45 144.83 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -179.32 161.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.022 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.98 158.65 8.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.75 163.06 12.21 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.81 154.13 7.84 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -107.09 -179.09 3.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 35.7 t-80 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.24 158.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.99 5.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 170.93 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.89 -169.88 34.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.83 176.69 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.38 39.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.15 172.84 16.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.88 155.68 11.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.12 163.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.46 154.47 13.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.5 166.19 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -157.55 169.52 34.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -154.68 164.34 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 80' ' ' LEU . 1.1 pt? -165.54 162.18 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.97 160.61 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -149.94 159.96 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.34 158.26 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 164.04 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.61 162.49 11.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -171.14 157.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.8 m -159.46 157.69 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.6 162.2 39.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.38 140.41 2.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -172.55 146.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 145.34 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.7 152.99 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -179.62 136.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.25 158.87 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.89 147.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.38 159.33 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 158.22 3.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.87 144.0 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.87 -143.87 15.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.18 100.81 0.93 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p -178.41 170.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 169.82 81.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -87.05 138.73 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.74 -82.72 0.83 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.54 171.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 164.09 147.81 5.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.05 123.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -158.25 94.66 0.14 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.4 110.24 21.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.85 115.9 0.85 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -124.44 -61.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.77 97.42 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -76.02 121.45 22.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.05 103.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.6 tt -78.61 148.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 144.12 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.92 97.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.32 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -134.21 150.16 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -157.45 126.21 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.49 164.19 34.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.91 174.37 40.01 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.555 ' HA3' ' CD2' ' A' ' 18' ' ' TYR . . . -90.88 -127.2 3.6 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.1 169.68 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.57 170.24 2.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.23 40.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 154.04 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.02 -159.93 5.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -161.14 161.62 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.63 -146.09 9.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.98 163.61 32.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 -154.02 22.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.83 163.67 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.97 -144.65 13.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.49 176.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.5 -174.49 13.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -139.39 169.7 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.02 171.03 18.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.4 p -173.03 168.57 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -170.64 145.16 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -145.32 146.06 31.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -174.88 143.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.14 147.81 5.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.37 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t 177.92 145.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tp -177.17 158.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.28 106.37 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.27 157.78 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 131.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -173.52 118.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -177.5 132.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -177.32 146.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 102' ' ' ASN . 2.5 p-10 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -137.61 175.57 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.41 170.98 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 176.39 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.445 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.6 p -141.53 168.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -109.74 -157.55 17.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.5 158.3 14.39 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p -177.45 142.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 172.68 69.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.759 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.53 108.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -95.13 155.98 21.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -175.55 139.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 0.8 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.8 157.44 27.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -175.59 125.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -113.21 -177.74 19.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -160.73 154.45 22.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -150.98 144.75 12.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -163.49 166.11 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.64 167.68 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -166.37 117.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.68 130.15 20.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.98 143.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.62 168.54 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.01 116.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.68 108.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CG ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -179.63 160.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 4' ' ' TRP . . . 128.65 143.64 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.36 147.07 7.08 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 142.3 4.08 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.86 177.91 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.86 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -167.18 175.94 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.37 46.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 176.32 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.95 176.8 46.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -176.82 176.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.764 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.91 -178.86 45.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 168.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.45 36.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.37 175.31 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.06 -175.12 28.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -172.33 145.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.405 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.99 174.26 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 p -178.67 168.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -172.26 161.2 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -179.22 167.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 158.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.36 167.19 39.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.3 167.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p 178.84 168.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.46 175.47 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.67 159.63 20.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 pt -137.05 176.48 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.17 158.51 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.3 163.3 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -179.82 158.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -172.97 164.21 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -163.17 174.85 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.58 169.16 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -143.27 175.75 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.7 p -172.54 167.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -144.6 -156.22 6.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.71 155.88 17.52 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -178.18 159.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.73 -145.51 12.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 135.7 29.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -168.47 146.64 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -175.71 118.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -97.43 168.21 23.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -52.88 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 102.21 -135.88 12.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -123.51 165.53 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -137.32 177.74 19.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 52.64 175.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.75 -59.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.91 175.0 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.79 79.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 190' ' ' HIS . 42.0 pt -108.53 128.58 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 189' ' ' ILE . 0.0 OUTLIER -39.33 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 12.2 p -58.14 124.25 18.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.501 0.191 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 172.52 16.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -154.34 131.45 11.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.78 145.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.97 163.38 11.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.74 163.01 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.74 -105.89 1.82 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 mttt -105.25 -179.6 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -133.77 117.19 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.2 t -78.52 107.31 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.94 7.42 55.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -98.37 -66.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.524 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.2 p -82.14 -23.69 35.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tt0 84.47 28.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 149.62 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 153.85 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 31' ' ' HIS . 96.9 t -117.67 157.12 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -164.71 179.9 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.68 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.55 -17.44 62.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 23' ' ' VAL . 11.8 pt-20 -56.91 -33.26 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.12 125.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.859 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.3 t -109.82 116.83 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 7.3 pt20 -100.48 166.53 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.555 ' HB3' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -170.22 159.17 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.33 117.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.15 51.79 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 166.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.439 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 81.1 p 178.65 132.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -135.9 179.72 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 17' ' ' VAL . 49.4 m80 -72.18 160.88 31.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CD ' ' HB2' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -59.76 -46.0 90.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -68.72 -31.68 70.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.28 -52.98 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.344 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.859 ' CD2' HG11 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -39.47 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -157.73 147.51 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 49.3 t -67.09 114.39 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 7.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.3 t -101.85 -67.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -79.4 -23.33 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.0 24.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -100.69 129.81 46.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.9 m120 -41.11 148.62 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.946 HD22 HG23 ' A' ' 49' ' ' VAL . 12.5 mt -114.33 143.95 44.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.61 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.4 p -44.68 168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 47' ' ' THR . 8.1 t -83.42 67.98 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' LYS . 5.0 t -176.35 48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.946 HG23 HD22 ' A' ' 44' ' ' LEU . 5.0 p -108.68 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -165.58 163.88 19.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 25' ' ' CYS . 4.0 t -121.7 162.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -147.34 143.6 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.624 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 70.99 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 163.16 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.94 -179.34 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.824 HD11 ' CE1' ' A' ' 35' ' ' PHE . 3.2 tt -107.63 143.71 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.8 m-85 -139.93 171.2 14.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.636 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.7 p -107.15 148.64 28.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.29 -66.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 59' ' ' LYS . 35.9 t -30.26 -71.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.6 m -43.18 -55.06 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.284 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.8 t80 -44.65 -55.88 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.14 -18.17 64.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -77.41 -54.27 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.779 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 4.4 m-85 -66.46 -48.83 68.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.92 169.41 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.24 35.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 176.77 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.67 175.66 40.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -155.22 150.59 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.46 145.34 13.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.13 169.07 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.83 -125.27 2.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.62 170.7 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.77 127.52 2.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.02 167.63 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.46 145.3 10.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -171.88 142.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt -163.7 155.02 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 p -141.16 163.44 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.8 t -164.02 147.05 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.76 151.58 29.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.13 153.55 40.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.71 -178.77 17.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.03 171.06 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 p -132.32 156.92 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.061 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.538 HD13 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -136.26 144.57 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.538 ' H ' HD13 ' A' ' 88' ' ' LEU . . . -114.64 178.05 17.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.8 pt -145.26 164.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -172.93 167.77 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 49.3 m-85 -164.45 174.2 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.06 164.66 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.65 165.98 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.67 141.1 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -177.61 148.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 146.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -175.64 158.18 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.79 18.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.68 28.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -123.26 169.13 11.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -167.12 99.85 0.64 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -151.72 164.97 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.75 139.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -152.18 155.06 37.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -179.46 145.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.45 151.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -177.1 162.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.24 156.72 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.82 164.83 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.4 p -140.05 167.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -159.58 -172.95 27.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 128.13 176.88 14.62 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t 63.03 144.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -158.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.43 171.35 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -98.11 108.22 45.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.524 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -3.59 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.88 -42.56 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.59 -24.83 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.15 161.45 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 139' ' ' HIS . 64.3 t -133.33 116.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.7 p90 -160.51 128.94 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 73.29 -155.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.04 134.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.0 61.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.483 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -148.95 95.32 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -90.79 147.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.82 116.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.93 155.67 26.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.42 48.97 16.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.37 41.82 12.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 170.1 18.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 13.1 m -126.69 138.77 53.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.961 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.56 171.45 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -73.1 128.27 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.595 ' NZ ' HG23 ' A' ' 131' ' ' VAL . 1.4 ttmm -56.2 -17.31 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -51.33 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.6 m -68.73 -58.74 3.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.082 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.2 t80 -30.32 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -140.92 147.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.3 t -45.87 126.17 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.35 33.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -133.98 -46.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 16.5 p -110.22 -23.32 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.46 22.38 56.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 111.76 21.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.9 m -53.29 135.35 38.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -106.33 -175.69 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.0 OUTLIER 163.48 -60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.8 p -51.33 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 156' ' ' THR . 14.5 t -174.26 -142.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 155' ' ' THR . 82.6 p 42.65 53.5 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -120.25 131.74 55.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.745 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -95.88 150.06 20.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -130.6 99.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.3 OUTLIER -96.2 89.34 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 4.4 m-20 38.41 79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.51 -47.34 3.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 24.6 mt-10 -59.99 148.33 35.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.082 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -131.88 131.41 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.2 m-85 -141.28 -176.81 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 169' ' ' CYS . 20.3 p -100.77 145.59 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 108.346 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -43.09 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.469 ' O ' ' CD ' ' A' ' 172' ' ' LYS . . . -55.26 -33.01 57.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.4 m -82.03 -48.17 11.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.604 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 3.8 t80 -54.77 -30.23 56.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -84.12 -60.31 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 168' ' ' GLY . 1.4 mptt -47.87 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 1.7 t30 -39.88 -29.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 6.7 m-85 -113.72 55.43 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -134.93 157.33 22.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.16 40.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 -62.82 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 90.31 163.0 38.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -173.93 168.38 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 171.08 120.15 0.53 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.02 167.0 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -174.33 113.83 0.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -176.47 144.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 176.06 163.79 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -174.98 163.47 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 161.21 -167.01 35.99 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -172.25 167.91 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.33 143.19 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 189' ' ' ILE . 2.6 pp -124.77 146.83 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 147.13 39.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.69 92.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.6 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.569 0.223 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.04 -56.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 174.56 165.68 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -172.85 161.6 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.84 170.68 34.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.33 178.81 47.27 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.82 -177.51 47.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.63 177.3 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 117.13 23.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . 49.0 t -82.02 106.19 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.47 5.24 61.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.6 t -94.24 -67.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.562 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.9 p -81.45 -25.28 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 85.05 29.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 164.18 15.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.32 147.27 31.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.2 t -122.13 165.95 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.466 ' N ' HG12 ' A' ' 17' ' ' VAL . 28.3 t80 -95.27 162.39 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 50.8 t80 -83.81 69.42 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.46 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -33.15 75.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.7 pt-20 -38.95 131.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' SER . 6.1 t -113.36 119.75 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -106.78 160.36 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -172.41 132.71 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER 60.21 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.41 28.98 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.6 m -137.34 169.09 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 89.7 p -152.15 127.3 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -139.95 164.11 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.876 ' CD2' HG22 ' A' ' 17' ' ' VAL . 78.0 m80 -50.39 160.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -78.76 55.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -173.0 -46.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.67 ' HB3' HG11 ' A' ' 12' ' ' VAL . 56.6 m -53.85 -27.98 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.367 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.859 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -62.94 79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -137.85 132.94 33.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 41.9 t -44.04 114.86 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.83 13.4 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.775 HG23 ' CD1' ' A' ' 57' ' ' TYR . 21.3 t -111.34 -71.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -76.07 -26.78 56.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.781 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.6 tttt 85.86 24.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.02 129.29 46.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.446 ' N ' HD12 ' A' ' 36' ' ' LEU . 27.3 p-10 -60.69 146.42 45.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -118.07 156.15 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 -69.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.08 115.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.67 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 8.9 t -141.27 42.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.859 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.3 p -88.36 146.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -126.72 164.12 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 ' HB2' ' A' ' 26' ' ' GLU . 4.3 t -121.21 162.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 4.2 t-80 -161.82 123.26 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.3 -120.27 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.6 53.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -166.0 162.91 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.549 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -124.86 140.51 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.775 ' CD1' HG23 ' A' ' 39' ' ' VAL . 13.1 m-85 -139.67 147.48 41.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.5 p -80.77 139.14 36.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.41 -61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -34.57 -50.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 13.0 m -60.93 -55.77 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.24 -49.74 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.49 79.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -73.45 -38.45 65.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -76.8 -64.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.1 -32.3 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.62 161.65 5.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -179.22 4.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 176.77 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.74 -179.26 41.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -173.91 176.75 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.41 -174.93 36.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.23 176.68 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -159.52 -166.97 19.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.7 ttm -179.61 170.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.16 -166.22 14.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.07 175.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.28 -176.3 37.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -172.46 164.32 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.6 172.23 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.3 164.14 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.0 p -133.92 178.6 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -167.15 166.53 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 176.62 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -149.08 -162.52 10.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.85 170.9 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.3 169.68 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -168.87 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.69 179.85 41.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 tt -173.72 171.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -175.63 175.66 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.33 159.16 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.1 170.18 12.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.03 170.97 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.85 -176.39 40.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.93 171.08 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 p -172.69 169.95 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -170.35 174.66 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -166.08 148.81 6.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.43 4.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -169.01 165.6 11.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.42 99.84 0.29 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.3 p30 177.77 155.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.28 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.8 p -179.14 167.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 177.96 152.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -167.45 168.31 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.4 175.83 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 179.15 171.36 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.89 175.07 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.1 p -173.71 156.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.73 -158.51 7.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.97 131.64 1.57 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 t -179.98 139.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.7 -154.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -130.35 171.5 20.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.5 t -101.35 107.79 52.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.4 Cg_endo -74.99 0.75 8.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 21.3 p -78.3 -32.21 49.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.249 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.79 -22.89 29.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.04 140.37 58.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.67 163.35 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 72.4 t -134.61 126.85 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -131.39 179.68 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -57.87 100.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 165.41 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER -148.33 52.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -107.34 131.58 54.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.19 140.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 115.9 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.17 143.5 11.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.65 36.92 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.0 40.73 95.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -148.37 164.87 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.615 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.5 OUTLIER -110.26 143.14 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.24 168.14 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.4 m80 -70.87 119.55 15.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.0 OUTLIER -64.85 76.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER 156.08 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -90.0 -24.83 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.37 101.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 149' ' ' GLY . 6.4 mtm180 -117.65 149.48 40.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.9 t -65.18 129.14 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.77 34.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 -47.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.4 p -110.67 -18.57 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.444 ' O ' ' CZ ' ' A' ' 144' ' ' ARG . . . 88.14 -5.7 84.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 149' ' ' GLY . 13.6 tttt -46.7 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.56 114.27 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -112.54 169.73 8.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 154' ' ' SER . 0.1 OUTLIER 166.26 47.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 153' ' ' GLU . 3.4 t 163.56 101.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 154' ' ' SER . 20.6 m 36.64 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 152' ' ' LEU . 0.6 OUTLIER 177.94 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.9 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -62.64 144.17 56.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.9 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -128.88 120.8 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -89.62 98.09 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -109.42 111.32 22.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 50.05 43.27 25.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.58 -37.54 3.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 8.1 mm-40 -59.08 160.78 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.862 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -125.55 131.53 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 38.0 m-85 -142.24 -174.19 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 22.8 p -100.27 147.26 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.34 -43.96 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.21 -33.49 57.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.59 -46.7 16.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -81.7 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.8 mmmt -45.27 -58.24 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.2 m120 -38.36 -44.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 160' ' ' LYS . 2.9 m-85 -135.14 64.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -113.15 -145.87 9.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.71 43.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.01 170.32 20.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -174.63 155.56 21.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.18 160.12 43.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 181' ' ' PHE . . . -149.63 -177.68 23.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 180' ' ' GLY . 16.3 m-85 -169.31 145.97 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.971 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -104.22 -164.69 24.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -161.47 169.01 22.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -164.66 164.98 37.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -177.01 159.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 166.51 100.27 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -155.69 135.95 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.15 96.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -154.1 131.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -128.55 164.25 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.557 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.0 154.53 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 151.83 39.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -179.9 158.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -154.14 151.6 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.33 -171.44 12.19 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.98 176.96 41.23 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.04 149.23 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -113.31 173.79 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -130.83 126.68 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -83.07 108.64 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.68 4.36 60.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.145 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.765 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.64 -68.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.536 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.4 p -77.8 -23.29 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 82.75 26.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -119.67 147.71 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.9 152.6 44.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.023 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.5 t -127.99 158.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -96.37 169.17 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -83.21 81.86 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.32 -60.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 pt-20 -77.48 -35.6 53.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 -38.84 124.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.8 t -116.41 118.21 58.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.5 mt-30 -91.19 143.08 27.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.74 135.96 25.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -39.01 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.31 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HG ' ' HE1' ' A' ' 30' ' ' PHE . 3.1 p -156.5 174.68 15.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 85.9 p -128.29 143.25 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.765 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.3 m-85 -138.71 173.03 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.023 ' NE2' HG22 ' A' ' 17' ' ' VAL . 43.9 m80 -57.51 170.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -57.4 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -29.53 69.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.1 -40.89 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -69.51 72.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 56' ' ' ILE . 1.2 tt -138.62 132.2 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.658 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -44.78 113.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -80.06 8.71 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.053 HG23 ' CD1' ' A' ' 57' ' ' TYR . 53.7 t -102.33 -66.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 19.4 p -81.23 -28.04 34.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.344 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 88.35 27.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 130.3 50.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 36' ' ' LEU . 5.1 t30 -56.27 143.93 32.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 HD11 ' A' ' 56' ' ' ILE . 44.2 mt -125.31 131.37 53.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.78 -70.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -163.5 167.46 21.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.5 OUTLIER 61.04 134.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 59' ' ' LYS . 2.1 m 83.76 -43.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.845 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.4 p -61.18 138.92 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.18 164.8 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.21 138.86 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -140.73 130.0 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.05 -97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -137.25 52.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -158.76 160.69 36.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.724 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.33 143.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.053 ' CD1' HG23 ' A' ' 39' ' ' VAL . 50.7 m-85 -147.79 174.56 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.5 p -101.07 140.4 35.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.5 OUTLIER -36.81 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 59' ' ' LYS . 31.5 t -30.09 -70.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 64' ' ' LYS . 36.4 m -41.53 -56.08 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.2 t80 -45.54 -53.98 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -17.88 65.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -78.18 -53.41 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -46.6 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 10.0 m-85 -66.89 -49.59 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.78 84.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.4 42.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.1 149.38 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.04 175.0 23.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.47 147.72 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.0 170.26 35.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -174.48 121.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 141.66 15.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttp -172.97 120.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.52 168.31 22.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.0 138.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.1 175.67 18.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.2 m -142.31 148.58 38.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 tp -127.37 136.87 52.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.0 p -129.64 147.42 51.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.5 p -144.39 150.34 37.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.13 137.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.9 156.77 5.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.42 130.27 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.66 118.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.4 p -128.09 162.87 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.44 147.25 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.36 141.88 5.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tp -138.49 138.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -129.2 170.2 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -159.62 168.19 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.35 157.43 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.84 143.2 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -163.19 135.15 3.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.92 161.41 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.55 168.87 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 99' ' ' ARG . 83.4 t60 -176.92 167.13 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' N ' ' CG ' ' A' ' 98' ' ' HIS . 1.3 ptt180 -172.22 148.86 2.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.93 5.45 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -172.4 136.4 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -161.26 125.03 1.94 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.19 4.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.44 136.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.39 146.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.8 p -179.17 143.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.96 144.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 148.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -147.5 155.7 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 131.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.46 136.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 p -174.57 148.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.14 167.22 27.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.16 101.41 1.43 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.96 148.1 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -154.41 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.37 171.93 22.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 38.2 t -98.38 109.48 52.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -69.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -80.98 -35.17 32.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.5 -27.42 10.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.18 141.06 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.94 161.87 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.861 HG22 ' CD2' ' A' ' 139' ' ' HIS . 94.1 t -135.83 120.39 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.05 -53.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.0 -167.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.39 149.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.34 56.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.655 ' HG3' HG12 ' A' ' 125' ' ' VAL . 0.9 OUTLIER -126.21 93.45 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -91.83 148.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 38.7 mm -127.94 115.5 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.89 156.12 26.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.95 50.79 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.62 43.61 6.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.69 168.46 23.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 132' ' ' ILE . 12.2 t -124.6 138.93 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.943 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.25 172.15 19.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.861 ' CD2' HG22 ' A' ' 125' ' ' VAL . 37.3 m80 -75.41 125.24 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -53.1 -20.31 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 12.0 p -77.4 -46.58 22.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 143' ' ' PHE . 21.3 m -72.27 -61.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -32.67 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -134.88 145.84 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 152' ' ' LEU . 46.6 t -45.93 123.73 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 165' ' ' TYR . . . -89.25 31.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 2.7 tptp -131.15 -45.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.2 p -109.97 -22.05 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.27 19.84 61.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 114.4 25.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 59.8 p -51.01 134.08 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -99.35 -172.98 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.44 -59.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 t -176.47 147.37 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 156' ' ' THR . 99.2 m 64.11 172.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 155' ' ' THR . 15.1 t 46.94 30.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.1 OUTLIER -112.97 133.36 54.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.619 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -96.99 100.29 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -85.68 97.31 10.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 162' ' ' GLY . 8.9 tptm -89.77 96.54 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.87 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -116.58 -31.16 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -75.37 162.88 28.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 0.804 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -139.82 134.23 37.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 146' ' ' ALA . 31.4 m-85 -135.34 -174.32 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 169' ' ' CYS . 19.0 p -98.36 143.45 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 -40.96 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.79 -31.28 57.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.9 m -82.8 -47.58 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 4.1 t80 -56.29 -30.5 62.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.17 -65.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -48.54 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 29.7 t-20 -39.02 -31.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 172' ' ' LYS . 70.5 m-85 -117.52 56.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -134.73 70.54 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -63.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -163.85 113.67 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.21 136.32 48.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -141.74 163.0 26.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.54 142.77 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -121.72 -174.94 14.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.94 164.38 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -103.82 -65.14 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 61.31 166.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 164.24 -99.62 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.493 ' C ' HD13 ' A' ' 188' ' ' LEU . . . 63.58 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -154.95 56.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 51.7 mt 63.64 136.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -132.48 -62.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 1.3 m 44.33 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.533 0.206 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 178.8 6.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -116.55 167.12 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -137.93 157.53 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.96 -151.44 6.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.47 -153.36 5.91 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.87 -162.1 11.46 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -114.85 177.77 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -125.1 114.16 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HB ' ' A' ' 12' ' ' VAL . 46.4 t -73.06 107.55 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.06 61.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.522 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.4 p -80.78 -23.94 38.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.253 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 85.06 27.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -118.23 144.87 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 134.55 42.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.051 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.5 t -101.17 146.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -92.55 -57.47 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER 178.81 162.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 76.07 -57.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.0 tt0 -62.93 -45.34 92.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -47.3 120.79 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 21' ' ' GLU . 43.6 t -124.24 117.78 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.82 157.02 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.573 ' SG ' HG22 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.16 83.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 38.72 62.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.37 -50.73 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 m -68.13 173.48 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.036 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 5.6 t -160.84 128.28 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -141.75 163.8 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.051 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -60.51 144.39 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -47.51 -44.46 25.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -69.03 -35.63 76.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.563 ' HB3' HG11 ' A' ' 12' ' ' VAL . 23.0 m -63.67 -51.93 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.798 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -58.83 95.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.665 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -146.32 134.61 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 39' ' ' VAL . 48.8 t -50.85 111.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 3.09 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.8 t -97.11 -73.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -72.47 -21.6 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 79.27 22.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -100.29 135.72 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-80 -47.09 145.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.897 HD13 ' CG2' ' A' ' 49' ' ' VAL . 8.2 mt -126.96 103.16 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -161.07 86.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -176.43 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -174.08 174.18 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 48' ' ' THR . 8.9 m 62.66 52.93 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.897 ' CG2' HD13 ' A' ' 44' ' ' LEU . 1.5 p -119.03 174.72 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -153.96 164.76 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.573 HG22 ' SG ' ' A' ' 25' ' ' CYS . 4.3 t -120.01 171.17 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.531 ' H ' HG12 ' A' ' 51' ' ' VAL . 54.0 t60 -165.54 102.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.27 -107.62 0.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -113.12 43.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -153.15 160.25 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -125.52 137.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.902 ' CD1' HG23 ' A' ' 39' ' ' VAL . 16.2 m-85 -140.59 148.5 41.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HB3' HD21 ' A' ' 44' ' ' LEU . 24.8 p -78.04 149.28 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' HB3' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.45 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 59' ' ' LYS . 46.5 t -31.54 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 31.8 m -41.35 -59.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.42 -52.99 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.74 -23.08 66.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -75.61 -46.53 31.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -62.72 -48.36 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.03 -47.82 70.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 88.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.88 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.58 -167.14 25.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -172.98 172.09 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.05 153.24 8.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.45 176.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.96 157.49 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -173.92 170.7 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.64 170.61 40.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.0 175.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.26 146.97 6.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -137.72 150.76 47.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 80' ' ' LEU . 2.2 pt? -142.44 176.56 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.5 t -175.41 144.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -149.31 153.87 38.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.36 164.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -166.39 166.76 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.7 -168.92 14.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.43 167.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.0 p -179.31 159.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.3 176.76 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.55 147.13 4.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -173.34 147.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -147.54 166.06 28.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -165.86 158.91 15.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -178.62 164.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 179.29 168.61 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.28 172.05 44.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 165.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -178.0 170.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -175.61 174.42 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.571 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.42 94.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.93 5.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -138.82 178.02 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -143.52 132.68 11.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.06 6.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -139.75 166.45 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.78 174.87 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.57 169.49 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.64 167.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.0 ptp -170.82 167.17 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.47 164.89 3.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.93 167.88 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -175.96 164.43 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.26 150.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.33 -146.7 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.82 75.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p -177.04 168.21 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.42 -158.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.38 171.5 21.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 139' ' ' HIS . 49.1 t -101.8 106.46 47.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.58 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -1.0 10.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.774 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -88.14 -65.77 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.465 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.6 p -84.87 -39.83 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.56 -27.58 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.53 145.87 47.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.41 163.2 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 139' ' ' HIS . 97.7 t -133.54 124.05 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 7.0 p90 -127.54 -51.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -169.32 -173.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 77.34 -56.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.1 tt0 -134.28 44.53 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 153.03 20.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.1 p -146.29 145.85 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.82 115.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.95 151.94 23.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 48.99 53.96 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.22 39.46 1.58 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 162.33 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 0.735 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.586 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 31.0 t -116.08 149.98 38.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.934 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.24 -176.21 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.925 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.3 m80 -81.48 143.5 32.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -80.87 44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 t -150.99 -46.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.95 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.85 -36.99 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.8 OUTLIER -46.71 98.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.411 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 3.5 ptt180 -141.63 155.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.2 t -51.42 126.97 18.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.42 34.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -134.81 -46.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.04 -21.69 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.85 61.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -76.99 122.67 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.411 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -65.95 127.44 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.95 -172.51 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.82 -57.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.3 t 176.76 57.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.9 p -116.93 -76.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 167' ' ' LYS . 11.5 m -153.88 74.64 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -98.82 145.58 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.773 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.73 153.71 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.6 p-10 -129.45 97.67 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.32 98.31 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.7 OUTLIER 38.51 69.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.74 -49.51 4.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 37.0 mm-40 -52.47 149.69 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.006 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.4 pt -129.44 130.0 67.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.5 m-85 -139.02 -174.92 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.9 p -100.56 147.99 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 156' ' ' THR . 8.9 tttm -46.0 -42.83 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.44 -30.71 62.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -81.68 -48.04 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.9 t80 -57.18 -32.38 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.84 -61.03 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 9.7 mmtt -47.18 -60.98 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 5.2 m-80 -39.31 -39.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -124.62 61.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -175.91 70.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.34 65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 179' ' ' PHE . . . 170.76 -150.89 14.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 178' ' ' GLY . 0.2 OUTLIER -175.89 172.38 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.947 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -130.12 -172.01 13.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.56 171.86 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 172.49 130.08 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.37 141.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -168.8 -125.85 0.81 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 63.29 158.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.83 169.01 31.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -174.06 133.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.12 172.62 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -171.72 121.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -167.28 148.84 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 89.9 p -71.01 137.84 49.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.245 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.543 0.211 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.96 176.89 9.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.96 165.5 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -122.6 160.15 26.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.17 -143.63 4.01 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.09 -153.66 6.09 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.19 -163.01 20.29 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -97.31 177.91 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 116.57 21.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.2 t -78.62 106.32 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.68 5.24 61.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.7 t -94.29 -66.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.55 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.88 -24.25 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 84.87 28.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -111.2 179.0 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.07 140.03 31.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.982 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.9 t -111.96 158.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -125.39 -63.04 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.52 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -40.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 2.0 pt-20 -138.63 47.0 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 116.66 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 45.5 t -120.78 118.6 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.21 144.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.15 134.42 21.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -38.91 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.68 -56.37 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 t -151.09 171.17 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -137.53 133.16 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -131.76 173.12 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.982 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.5 m80 -64.26 162.22 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 23' ' ' VAL . 14.5 tttm -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 7.79 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 12' ' ' VAL . 51.7 m -112.49 29.16 8.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.9 t80 -133.93 79.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -141.73 134.38 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 44' ' ' LEU . 45.0 t -47.72 114.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.45 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.13 11.76 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 34.6 t -108.12 -69.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -78.46 -25.53 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 85.43 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -98.78 128.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.96 143.69 51.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 37' ' ' CYS . 9.2 mt -125.16 145.85 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -107.59 -66.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.17 95.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.983 HG22 HG23 ' A' ' 48' ' ' THR . 4.2 m -158.01 -62.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.983 HG23 HG22 ' A' ' 47' ' ' THR . 71.1 p -127.31 4.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.946 HG21 ' CE1' ' A' ' 35' ' ' PHE . 2.0 p -59.76 143.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.86 166.07 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.79 140.28 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.8 t-160 -150.61 130.74 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.05 -99.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.73 51.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.3 OUTLIER -165.07 160.85 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -108.16 141.72 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 19.3 m-85 -145.14 126.34 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 31.8 p -55.65 150.83 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.04 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' LYS . 1.1 t -34.03 -67.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' SER . 24.5 m -40.8 -53.12 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.9 t80 -49.71 -55.81 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.95 -16.06 56.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -54.31 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -51.31 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 22.8 m-85 -64.75 -46.58 81.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.59 98.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.83 5.7 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.32 173.68 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.39 -176.94 45.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 176.47 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.85 179.24 40.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -177.14 176.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.36 172.23 45.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.48 170.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.28 173.07 42.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.91 176.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.16 172.45 45.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -172.45 159.62 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 0.722 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -146.75 176.6 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 t 179.05 155.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -137.23 178.38 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 176.97 167.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.33 176.72 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.87 -169.58 28.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.18 171.03 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.761 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.3 p -179.84 162.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 89' ' ' GLY . 8.3 tt -173.72 158.28 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.414 ' N ' HD23 ' A' ' 88' ' ' LEU . . . 154.84 136.65 2.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 tt -173.87 152.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -173.48 167.91 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -174.22 172.75 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.79 169.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.43 171.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.33 166.42 30.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.25 168.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.11 154.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -178.6 166.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 86.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.9 17.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -137.43 178.65 6.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.5 99.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.71 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -170.38 160.99 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.94 169.56 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 167.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 8.8 ttm105 176.66 165.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.9 ttt -178.56 156.81 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.28 170.96 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.78 171.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.52 176.71 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.66 176.0 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.84 175.32 36.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.86 146.03 4.25 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.3 p -175.4 169.01 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -151.11 -153.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.97 171.97 23.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.3 t -101.89 106.64 48.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.595 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.06 -0.73 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -68.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.5 p -79.56 -34.3 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.262 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 22.54 13.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -40.61 157.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 45.0 t -133.34 121.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -168.55 143.07 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 62.23 -152.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.49 135.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 78.1 62.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.797 ' CE ' HD11 ' A' ' 132' ' ' ILE . 1.9 ttpp -136.32 134.02 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 138' ' ' TRP . 10.0 p -133.97 144.92 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.797 HD11 ' CE ' ' A' ' 130' ' ' LYS . 4.9 mp -124.54 117.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.54 147.54 17.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 46.46 58.05 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 38.39 40.95 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.63 159.44 43.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.544 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.9 m -115.23 143.55 45.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.022 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.51 179.52 9.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 108.004 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.3 m80 -81.4 131.95 35.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.41 61.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -173.66 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.14 -42.36 76.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.824 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -32.1 102.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.4 146.48 38.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.93 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.1 t -47.99 126.54 10.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.81 34.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -135.32 -46.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.9 -20.87 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.4 71.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -78.98 132.15 36.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 141.81 57.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.93 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -163.64 177.41 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.71 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.523 ' H ' HD23 ' A' ' 157' ' ' LEU . 5.0 t 76.84 -56.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -48.43 105.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 167' ' ' LYS . 71.2 p 42.24 55.54 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -104.47 119.23 38.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.562 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -83.6 147.62 27.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 8.4 p-10 -129.25 102.77 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.5 OUTLIER -95.35 88.1 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.1 m-20 38.81 71.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.3 -50.05 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.1 mp0 -59.05 155.01 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.824 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.1 pp -132.01 139.56 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -150.17 -176.85 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' CYS . 29.8 p -95.06 141.46 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.68 -39.61 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.79 64.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 166' ' ' CYS . 9.1 m -80.2 -48.79 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.462 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.0 t80 -55.2 -30.73 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.85 -64.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.7 OUTLIER -48.4 -68.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 22.1 t-20 -39.37 -30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -116.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -110.85 157.3 15.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.19 17.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -148.13 143.37 27.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -159.57 151.04 21.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.35 166.49 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -161.53 160.73 32.55 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -167.79 103.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 152.88 114.06 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -156.1 130.01 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 137.01 92.29 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -143.22 146.64 33.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.784 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -151.08 -165.07 12.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 58.54 176.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 191' ' ' SER . 5.3 tt 67.02 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 190' ' ' HIS . 1.3 tt -126.23 -52.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.449 ' N ' HG23 ' A' ' 189' ' ' ILE . 43.8 m80 -114.76 66.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' SER . . . . . 0.428 ' O ' HD11 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -179.35 81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.542 0.211 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.01 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.3 p30 178.76 161.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -99.58 162.28 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.03 -166.51 17.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.83 -141.87 3.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -52.79 -53.14 34.55 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 88.5 170.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 0.722 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 131.16 44.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.7 t -85.94 109.67 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.97 7.59 54.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' CD1' ' A' ' 30' ' ' PHE . 3.3 t -100.77 -66.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -80.08 -26.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 11.0 tt0 86.7 28.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.68 148.24 44.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.62 143.81 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 9.1 t -122.08 146.86 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -142.28 -47.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -45.85 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 -15.95 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.42 -28.03 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 2.6 tm-20 -40.26 143.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' GLU . 74.7 t -131.86 127.95 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -77.29 174.52 10.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -162.82 74.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 35.98 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.49 -45.85 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -85.42 179.35 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.948 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 41.0 t -169.05 126.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -134.83 167.67 20.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.1 m80 -59.01 161.59 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -53.9 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -29.19 66.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.13 -45.03 91.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.4 t80 -67.73 75.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD12 ' CA ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -137.41 133.21 34.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 t -46.39 111.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.61 7.6 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.035 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.9 t -101.57 -67.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 14.4 p -79.77 -24.41 41.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.63 24.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.33 127.56 53.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.55 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p30 -50.0 144.9 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.075 HD13 HG23 ' A' ' 49' ' ' VAL . 28.6 mt -118.53 107.02 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.36 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 89.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.421 ' C ' HG22 ' A' ' 48' ' ' THR . 1.9 m -164.34 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.501 HG23 ' HB3' ' A' ' 59' ' ' LYS . 5.1 t 41.85 50.63 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.075 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -84.88 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.71 164.81 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.94 167.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.42 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.2 t-80 -160.03 102.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.59 -104.07 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.31 42.78 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 6.8 mm-40 -147.82 151.63 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.667 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -116.02 139.47 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.035 ' CD1' HG23 ' A' ' 39' ' ' VAL . 31.7 m-85 -147.85 167.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.872 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.4 p -104.02 143.74 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 60' ' ' SER . 17.8 tptm -38.16 -61.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -29.71 -72.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' HB3' HG11 ' A' ' 39' ' ' VAL . 83.2 m -44.79 -57.01 4.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -40.82 -65.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.67 -18.21 44.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -73.99 -55.65 5.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -68.4 -54.58 16.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -60.99 -39.4 89.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.56 98.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.62 5.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -117.11 159.05 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.91 -164.5 40.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 175.62 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -139.28 -158.54 7.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -163.58 176.75 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.79 -157.21 7.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttm -165.12 170.61 14.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -156.09 -171.93 22.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.2 175.95 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.54 174.94 45.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -168.15 161.62 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.678 ' C ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -173.12 155.61 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.641 ' N ' HD22 ' A' ' 80' ' ' LEU . 45.2 p -178.0 160.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -172.22 164.57 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 178.17 164.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.0 149.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.24 155.22 17.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.79 145.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.14 143.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -172.97 159.9 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.489 ' N ' HD22 ' A' ' 88' ' ' LEU . . . 139.16 137.64 3.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 tp -173.9 145.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -174.37 170.4 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -155.35 174.03 15.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.33 171.22 10.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -178.27 153.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -174.14 148.39 9.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -177.09 137.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 p 178.08 136.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -178.61 157.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -177.9 85.58 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.88 11.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -153.43 122.7 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.1 t30 178.22 99.86 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.17 4.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.73 152.41 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.92 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t -177.38 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.86 132.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 155.85 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.55 132.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 122.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.32 140.22 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.2 151.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.69 163.34 10.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 142.38 75.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 p 177.84 147.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 137' ' ' SER . 0.6 OUTLIER -161.48 -153.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.94 172.25 21.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.0 t -101.53 107.3 50.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.606 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.0 -1.15 10.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -69.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 26.8 p -79.59 -34.64 40.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.254 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.48 -29.22 8.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.28 139.86 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 126' ' ' TYR . . . -52.91 167.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.967 HG22 ' CD2' ' A' ' 139' ' ' HIS . 48.5 t -134.49 117.47 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 21.7 m-85 -141.35 -169.4 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -51.82 104.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 166.83 -61.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 47.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 22.7 tttt -88.06 139.3 30.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.004 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.7 p -133.77 151.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 132' ' ' ILE . 4.9 mp -117.94 116.33 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.39 147.98 18.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.47 52.26 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.84 42.69 6.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.23 170.01 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 3.1 t -116.4 135.43 53.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.004 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -148.9 176.33 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.967 ' CD2' HG22 ' A' ' 125' ' ' VAL . 23.1 m80 -79.21 129.31 34.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.2 OUTLIER -66.37 71.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER 166.62 -46.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 143' ' ' PHE . 76.6 m -59.93 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 108.278 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -29.14 114.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.64 146.77 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.666 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.5 t -71.05 127.2 31.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.31 33.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -134.49 -46.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.24 -20.4 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.12 63.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -62.48 142.73 57.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.6 m -65.11 155.77 33.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -114.21 -174.7 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.2 tm-20 86.21 53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 m -152.14 -53.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.4 p -105.55 -63.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 167' ' ' LYS . 1.0 OUTLIER -176.55 129.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -95.9 119.87 35.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -87.49 150.86 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.597 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -131.83 106.17 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -100.21 94.09 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.2 m-20 38.55 73.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.82 -49.38 3.82 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.5 mm-40 -56.45 153.91 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 134' ' ' ALA . 12.1 pt -132.79 131.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 51.6 m-85 -141.96 -178.17 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -94.59 147.09 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 156' ' ' THR . 10.3 tttt -46.84 -40.98 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.42 -30.14 64.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.2 m -80.76 -47.13 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.503 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -59.19 -32.79 70.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.26 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.7 mmtm -47.08 -60.9 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 172' ' ' LYS . 12.3 m-20 -39.17 -39.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.3 m-85 -123.8 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -141.15 69.15 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.42 6.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.32 63.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -179.56 -116.99 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -146.75 144.24 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -138.75 152.73 22.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.7 161.89 38.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 133.06 116.87 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.35 169.06 25.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -140.98 -159.81 8.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -146.41 166.96 24.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -128.37 138.06 10.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.435 ' O ' HD12 ' A' ' 189' ' ' ILE . . . -118.78 155.69 30.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.34 80.55 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 187' ' ' ALA . 2.9 mp -80.31 136.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -89.39 109.07 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.63 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 43.6 p -53.92 108.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.999 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.473 0.178 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -134.64 162.82 31.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.68 161.14 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.95 -147.88 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.57 -151.0 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . 37.85 -114.99 0.33 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 89.12 170.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -59.47 133.07 55.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.516 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.2 t -90.67 111.74 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.25 11.36 37.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.4 t -106.23 -65.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -82.85 -28.09 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.2 tt0 88.95 27.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -123.95 151.23 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.52 150.37 49.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.058 HG22 ' NE2' ' A' ' 31' ' ' HIS . 16.3 t -126.54 162.59 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -113.3 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.65 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 37.7 p90 -93.11 96.43 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 166.73 -58.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.5 pt-20 -83.14 -23.97 32.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -38.32 133.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.9 t -128.08 117.71 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.58 165.63 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -163.98 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 108.286 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER 36.88 81.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.77 -47.12 3.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.3 175.9 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 60.6 p -167.68 127.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.2 OUTLIER -135.86 173.39 11.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.058 ' NE2' HG22 ' A' ' 17' ' ' VAL . 37.4 m80 -51.72 -176.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.647 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -81.92 -58.66 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.44 -40.23 74.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.812 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.3 t80 -70.09 68.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.84 130.53 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -43.46 113.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.38 8.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.856 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -102.02 -67.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 16.0 p -79.76 -23.47 42.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 82.29 25.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.74 136.23 48.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -45.03 145.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.708 HD21 ' CB ' ' A' ' 58' ' ' CYS . 2.4 mt -114.01 142.68 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -176.16 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.495 ' C ' HG23 ' A' ' 47' ' ' THR . 4.2 m -93.63 92.84 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 46' ' ' SER . 36.6 p -155.91 -65.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 10.0 t -141.5 40.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.812 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.6 p -85.29 145.69 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -128.54 163.8 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.24 161.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.34 116.89 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.96 -100.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.82 48.72 2.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -153.19 158.2 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -115.39 138.28 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.856 ' CD1' HG23 ' A' ' 39' ' ' VAL . 21.7 m-85 -143.66 157.81 44.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.708 ' CB ' HD21 ' A' ' 44' ' ' LEU . 16.2 p -96.06 131.52 42.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.34 -57.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.2 m -38.49 -41.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.1 m -70.28 -56.45 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 108.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.919 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-85 -42.26 -48.35 4.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.55 -33.88 60.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -36.96 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -74.38 -57.54 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 20.6 m-85 -58.02 -18.8 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.64 157.27 34.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 179.53 6.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 176.61 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.68 -174.93 21.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -157.11 176.64 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.62 -162.09 9.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -158.72 176.4 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 0.793 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.65 165.93 34.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.02 170.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 132.07 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.88 162.74 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.12 128.91 2.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -148.32 123.52 10.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.36 156.6 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -177.11 151.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -146.86 139.81 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -165.71 149.26 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 174.46 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.88 164.12 17.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -177.14 155.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -155.39 168.66 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt -115.15 162.36 17.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.94 -155.23 5.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 tt -162.06 157.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -142.05 149.33 39.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.97 168.9 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.73 159.9 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.53 137.0 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.68 131.38 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 t -176.72 124.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.19 157.31 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -145.58 85.98 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 120.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -76.26 124.6 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -110.27 99.85 41.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.43 39.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 177.58 150.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.39 170.58 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.17 167.31 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.28 157.91 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 ttm -164.37 120.07 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -164.06 121.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -138.21 96.96 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 82.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 67.2 t -136.08 135.07 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.02 -168.73 12.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.37 155.52 2.0 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.14 -59.29 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CG ' ' CB ' ' A' ' 137' ' ' SER . 3.9 p-10 -153.26 -163.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.01 171.9 21.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.9 t -98.39 109.25 51.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.07 -32.21 50.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.95 -25.45 22.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 140.54 57.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -56.96 162.07 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -136.14 122.7 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.84 -62.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -161.3 -166.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 74.88 -58.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.3 tp10 -132.51 43.57 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.753 ' HD3' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -96.54 131.64 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.014 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.4 p -129.51 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.753 HD11 ' HD3' ' A' ' 130' ' ' LYS . 4.1 mp -125.79 115.8 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.05 154.54 25.74 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.65 48.47 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 0.803 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.87 21.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 168.37 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 22.9 m -124.04 146.87 48.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.014 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.56 173.99 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 108.002 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -74.51 129.19 37.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -58.01 -16.3 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -81.88 -52.24 7.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.1 m -69.27 -59.29 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.968 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.6 t80 -34.08 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 5.1 ptp180 -141.47 146.1 36.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.2 t -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.93 33.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HZ3' ' CG ' ' A' ' 173' ' ' ASN . 3.3 mttt -134.37 -46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.17 -19.82 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.08 19.38 67.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.86 119.74 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 12.6 p -59.74 134.07 56.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.557 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -103.91 -175.38 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.74 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 174.62 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 155' ' ' THR . 17.6 m -75.78 56.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 13.6 t -132.63 25.4 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.854 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -97.69 171.54 8.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.854 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -138.32 111.79 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 2.6 p30 -90.89 100.04 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.91 97.58 8.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 160' ' ' LYS . 75.0 m-20 39.94 65.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.18 -48.88 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.2 mm-40 -55.37 159.86 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.968 HD13 ' CE1' ' A' ' 143' ' ' PHE . 10.1 pt -136.09 136.96 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 48.8 m-85 -147.94 -174.97 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.4 p -98.95 149.75 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 7.0 ptmt -46.69 -42.75 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -58.45 -29.51 63.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -81.78 -48.13 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.586 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -33.08 68.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.98 -60.08 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.77 -61.07 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 4.7 m-80 -39.02 -38.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 0.9 OUTLIER -124.69 61.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -91.21 174.25 38.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.23 27.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -134.17 131.7 38.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -153.55 140.58 7.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -148.99 145.78 27.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 137.82 108.53 0.85 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -167.97 165.28 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 99.48 76.01 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -153.46 148.08 26.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -130.76 -139.2 4.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -170.56 161.48 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -156.21 109.58 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.479 ' CB ' ' CE1' ' A' ' 190' ' ' HIS . . . -101.78 174.86 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.23 159.78 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 42.27 60.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.479 ' CE1' ' CB ' ' A' ' 187' ' ' ALA . 7.8 m80 -67.56 113.08 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.21 -58.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.926 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.27 4.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -62.87 167.22 4.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.65 161.25 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.36 171.12 36.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.1 -158.76 9.5 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.57 -150.21 5.14 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mtpt -137.3 120.97 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 114.48 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.1 t -69.81 107.06 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.91 7.03 60.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 34' ' ' CYS . 2.8 t -96.93 -64.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.3 p -84.34 -24.49 29.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 86.21 28.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.0 143.54 50.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.097 HG22 ' NE2' ' A' ' 31' ' ' HIS . 10.0 t -116.02 149.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -161.83 104.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.682 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.9 m-85 52.68 -171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 83.18 -62.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -137.63 -80.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 50.43 97.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' CD2' ' A' ' 35' ' ' PHE . 43.1 t -100.89 140.79 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 31.6 tt0 -124.68 156.51 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.1 p -164.32 129.7 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 51.28 -100.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.03 40.53 1.66 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -152.1 170.77 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.523 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 4.8 t -159.85 136.61 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.097 ' NE2' HG22 ' A' ' 17' ' ' VAL . 67.5 m80 -62.56 140.07 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.532 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -56.24 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.2 m -52.97 -43.07 66.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG11 ' A' ' 12' ' ' VAL . 86.5 m -61.07 -45.14 95.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 13.4 t80 -67.04 81.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -128.14 133.02 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.1 t -46.56 111.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 3.64 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.904 HG23 ' CD1' ' A' ' 57' ' ' TYR . 55.0 t -98.15 -73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.1 p -71.9 -22.73 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 81.02 23.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -103.43 135.25 45.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.18 144.44 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.953 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.8 mt -116.85 127.79 54.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -168.41 69.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.25 173.4 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 47' ' ' THR . 10.1 t -92.46 48.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.659 ' O ' HG22 ' A' ' 48' ' ' THR . 3.3 m -159.41 54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.846 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.1 p -118.66 176.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -159.58 165.27 33.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.3 t -120.37 149.27 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 23.8 t-80 -175.69 155.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.76 52.94 7.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 40.63 45.57 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.829 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -114.17 136.42 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.904 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.4 m-85 -142.69 143.42 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.953 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.6 p -74.59 139.2 43.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' CE ' HG23 ' A' ' 48' ' ' THR . 2.1 ttmt -38.14 -64.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -34.77 -50.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 m -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 t80 -45.56 -53.13 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.02 -23.07 76.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -54.88 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -64.82 -48.33 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 5.1 m-85 -60.55 -37.53 81.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.55 98.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 176.77 9.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpm? -150.05 147.82 28.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -136.32 -179.57 16.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.5 173.97 8.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.19 174.06 40.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.21 166.47 26.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -178.92 159.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.99 130.76 1.47 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -167.9 159.41 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.2 146.62 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -162.3 146.89 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -157.86 142.58 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 p -177.24 138.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -172.51 148.53 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 178.76 140.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -175.77 148.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.93 111.38 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.83 152.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.423 ' C ' HD22 ' A' ' 88' ' ' LEU . 0.1 OUTLIER 179.04 84.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 87' ' ' SER . 4.5 mm? -120.59 130.17 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.23 129.24 1.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 tp -161.69 144.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.37 155.58 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -134.44 157.42 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -151.31 150.81 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.77 160.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.49 123.38 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -156.78 163.85 38.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -143.93 159.93 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -147.69 168.23 22.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -151.38 94.84 3.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.97 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -113.77 150.03 34.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -128.14 127.86 23.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.28 31.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -111.87 152.41 28.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.93 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -146.86 162.53 38.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -148.27 156.62 42.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 161.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -99.78 148.8 24.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -102.55 130.61 49.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -74.52 173.04 10.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.67 150.51 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -107.61 93.53 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.08 134.86 12.58 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.9 m -82.95 -58.4 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.746 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -162.59 -156.37 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.61 170.69 20.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.96 108.58 54.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.0 0.62 8.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -71.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.4 p -75.96 -27.99 57.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -21.86 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.35 141.97 56.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.03 162.79 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 59.4 t -133.43 116.82 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -95.92 177.52 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.12 -66.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.43 134.55 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 74.23 60.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -143.92 141.24 30.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.2 p -133.2 147.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.37 116.87 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.53 142.88 10.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.585 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.78 45.79 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.32 37.46 47.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 157.18 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -115.34 136.83 52.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.975 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.57 173.29 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.6 m80 -70.08 128.46 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.487 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 7.9 tttp -67.31 71.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.9 t 167.28 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.9 p -60.62 -30.52 69.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.778 ' CD1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.21 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.635 ' O ' HD12 ' A' ' 164' ' ' ILE . 8.4 mtt180 -104.05 157.78 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.779 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.8 t -76.6 125.97 30.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.98 33.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.84 -45.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.9 p -110.21 -20.92 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.85 18.13 68.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -80.14 176.76 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 152' ' ' LEU . 70.2 p -95.33 147.9 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -131.75 -175.98 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -153.48 36.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.819 ' HA ' HD23 ' A' ' 157' ' ' LEU . 5.6 t 73.71 -58.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.048 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.2 m -49.7 -57.17 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.0 t -90.09 35.05 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 1.006 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -109.18 140.86 42.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 1.006 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -121.4 115.63 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.585 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -96.03 94.35 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 170' ' ' TYR . 0.0 OUTLIER -130.17 142.28 50.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 47.0 61.92 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.2 34.25 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 6.6 mt-10 -133.79 156.78 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.778 HD13 ' CD1' ' A' ' 143' ' ' PHE . 1.3 pt -115.09 130.67 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 33.7 m-85 -135.48 -176.61 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -98.48 144.75 27.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -45.69 -41.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.13 -31.84 59.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 5.3 m -81.57 -46.85 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 160' ' ' LYS . 4.2 t80 -56.15 -31.12 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.55 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.9 mmmt -47.57 -67.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 19.1 t-20 -38.56 -34.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 171' ' ' ALA . 76.2 m-85 -117.35 58.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.61 25.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 155.64 42.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -104.0 171.19 7.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -121.64 151.86 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -87.79 -52.8 5.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 140.15 -176.43 21.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.86 169.98 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 165.48 175.3 35.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -32.52 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 93.63 86.07 1.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -159.94 75.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -116.66 146.83 18.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 64.18 121.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.4 tt -166.94 117.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.24 137.46 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 68.93 126.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 10.1 t -71.25 -58.5 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 -179.991 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.526 0.203 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.05 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -161.65 152.09 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -127.42 157.14 40.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 107.964 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.3 153.49 8.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.72 -154.84 12.32 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA3' HG12 ' A' ' 17' ' ' VAL . . . -52.82 -48.54 56.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER 87.75 171.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.8 t -87.65 109.97 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.95 7.55 54.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -100.83 -66.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.6 p -80.95 -26.61 36.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 87.17 28.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 151.55 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 152.8 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.905 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.5 t -126.51 148.66 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.45 -175.76 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 13.8 p90 -79.51 48.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.65 -56.51 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.72 55.17 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.76 146.16 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 85.9 t -134.41 116.94 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 8.7 tt0 -95.67 145.96 24.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HG ' ' HZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -142.11 137.16 30.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -40.58 105.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -54.89 0.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 m -153.39 169.62 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -121.1 129.2 53.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -127.96 164.86 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.905 ' NE2' HG22 ' A' ' 17' ' ' VAL . 42.6 m80 -54.55 175.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.8 tttt -68.66 -60.11 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -61.75 -33.69 74.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -55.27 -37.48 67.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -68.64 69.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -133.47 133.25 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.5 t -45.05 114.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.42 9.44 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.944 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.1 t -105.33 -68.48 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -78.84 -20.55 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' O ' HD11 ' A' ' 36' ' ' LEU . 9.5 mttt 80.02 21.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 131.48 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -50.15 149.26 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -125.75 146.68 49.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER 155.88 95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.18 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 47' ' ' THR . 4.4 t -165.53 86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER 165.19 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 -179.943 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.954 HG21 ' CE1' ' A' ' 35' ' ' PHE . 4.4 p -49.94 145.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -133.39 165.56 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -118.9 142.4 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 6.5 t60 -153.06 132.93 13.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.93 -104.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -131.71 50.67 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -164.94 160.8 19.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -107.57 141.27 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.944 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -144.44 130.73 19.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.948 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.0 p -66.7 141.29 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 108.267 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CB ' HG23 ' A' ' 48' ' ' THR . 4.2 tttp -38.56 -63.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' LYS . 12.5 t -34.42 -52.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LYS . 12.9 m -58.63 -59.78 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -41.29 -59.04 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.33 -23.5 66.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -72.41 -37.65 68.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -61.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 37.9 m-85 -58.56 -33.67 70.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.85 172.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.85 30.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.43 1.753 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.92 175.49 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.47 -130.09 6.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.48 170.76 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.8 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.8 -158.59 9.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -158.47 148.07 19.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.77 139.44 10.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.8 146.94 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.17 170.0 33.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.92 167.92 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.25 113.06 0.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 m -148.31 137.91 22.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.75 167.72 16.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 p -175.52 121.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -171.53 138.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -171.66 110.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.96 144.43 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.74 126.51 0.85 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -168.22 162.39 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -174.98 138.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -174.31 155.32 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.88 109.46 0.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.7 tt -170.81 126.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -130.63 156.71 44.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.65 170.06 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.91 152.89 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.05 141.59 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.23 119.93 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -150.19 157.19 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 p -141.98 170.43 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -164.65 169.17 17.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.633 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -163.5 95.02 1.07 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.06 11.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 t -125.26 149.2 48.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -82.42 114.4 51.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.0 17.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -149.84 150.03 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.71 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -140.25 170.2 16.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.96 163.76 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -170.57 133.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.22 171.48 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -161.47 135.45 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER -129.52 142.15 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.15 134.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.29 170.11 13.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.02 144.49 8.92 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.0 p -65.69 160.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.969 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -156.25 -153.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.03 172.01 23.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.494 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.7 t -100.67 107.92 51.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.99 0.6 8.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -70.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 16.8 p -77.29 -30.86 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.3 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -109.97 134.58 51.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.44 155.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.862 HG22 ' CD2' ' A' ' 139' ' ' HIS . 69.7 t -134.05 120.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -161.61 -53.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.61 -167.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.34 144.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.58 57.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpp -125.99 96.96 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 6.1 p -97.56 153.97 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -135.28 115.55 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.66 153.79 25.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.48 49.85 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.4 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 3.6 mttt -147.02 169.01 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.61 137.74 51.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -155.15 172.1 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.862 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.9 m80 -77.24 119.34 20.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.545 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.45 ' CE ' ' HG3' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -43.94 -27.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 139' ' ' HIS . 32.8 t -70.33 -51.99 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 144' ' ' ARG . 11.0 m -69.05 -59.69 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.949 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.0 t80 -36.14 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -136.44 143.9 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.525 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.3 t -41.93 127.65 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.257 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.22 33.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -134.44 -46.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.93 -17.25 13.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.84 15.53 81.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -82.42 118.55 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 84.6 p -55.06 137.05 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -99.71 -175.03 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HG3' ' CE ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -179.58 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.1 m -58.39 174.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 155' ' ' THR . 21.0 m -80.06 52.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 68.7 p -128.98 35.12 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.786 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -97.18 166.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.786 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.28 101.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.65 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.4 p-10 -90.29 99.04 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' GLY . 5.3 ttmt -82.38 78.49 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.8 t70 65.74 -69.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -123.62 -30.76 1.03 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.6 mt-10 -76.61 165.18 25.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.949 HD13 ' CE1' ' A' ' 143' ' ' PHE . 7.5 pt -136.8 139.27 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.7 m-85 -150.66 -173.9 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -98.89 144.7 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -40.09 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 172' ' ' LYS . . . -59.16 -28.49 64.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.127 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.0 m -83.09 -48.46 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -32.94 68.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.73 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 168' ' ' GLY . 37.5 mttt -47.24 -62.43 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 57.2 t-20 -39.56 -37.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.2 m-85 -120.51 58.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.12 171.64 16.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 90.53 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -174.89 140.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 109.19 109.85 3.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -171.03 110.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.15 132.38 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -163.64 163.54 24.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 158.38 112.14 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.5 165.28 8.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 167.6 121.41 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -141.99 160.64 39.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -138.69 156.93 24.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -173.1 153.33 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.37 75.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.1 mt -124.39 85.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 2.1 t 51.84 78.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.01 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -117.99 92.43 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 58.93 161.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.39 -113.26 0.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.561 ' HA3' ' CZ ' ' A' ' 19' ' ' PHE . . . 140.05 131.48 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . 37.47 -115.42 0.33 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER 86.15 169.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.57 123.89 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.4 t -81.39 109.84 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.48 7.33 54.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.9 t -100.73 -67.12 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.2 p -79.86 -26.1 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 4.2 tp60 86.61 27.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.98 149.38 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.56 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.095 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.8 t -123.2 146.84 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -99.26 -67.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' HA3' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 178.58 -177.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.37 -66.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -73.37 -38.85 65.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -38.74 136.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' GLU . 68.1 t -133.86 119.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -78.63 130.85 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.522 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 2.0 t -135.55 133.08 38.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -40.27 103.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -55.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -156.74 178.08 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 61.0 m -117.92 140.34 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -137.6 159.53 41.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.095 ' NE2' HG22 ' A' ' 17' ' ' VAL . 61.4 m80 -51.81 171.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -70.78 -59.42 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -58.43 -23.44 57.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -69.45 -55.81 9.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -61.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.733 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -146.18 133.53 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CA ' HD12 ' A' ' 44' ' ' LEU . 48.7 t -47.27 110.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.41 2.78 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 40.2 t -97.37 -74.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -70.83 -21.57 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.22 22.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -101.88 133.96 45.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.8 p-10 -40.91 148.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 58' ' ' CYS . 6.1 mt -127.33 174.45 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.99 173.79 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -75.12 75.07 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 48' ' ' THR . 10.2 t -174.51 123.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 47' ' ' THR . 12.3 t 46.89 35.51 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 3.7 p -111.7 163.19 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.36 165.16 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.625 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.5 t -119.41 174.37 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.625 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -165.33 98.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.57 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.81 -104.12 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.0 40.62 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -148.65 159.79 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.774 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -126.1 134.69 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.6 m-85 -137.48 150.96 47.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.6 p -81.97 141.34 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 48' ' ' THR . 9.5 tttt -38.04 -66.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 59' ' ' LYS . 6.3 p -34.28 -48.57 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.6 m -64.2 -55.98 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 108.316 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.628 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.4 t80 -42.81 -50.24 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.88 -28.29 70.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -65.36 -53.13 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -64.68 -47.78 77.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.0 m-85 -59.13 -31.52 69.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.34 157.24 2.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -118.12 -64.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.65 -173.28 20.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.24 176.72 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.76 -153.64 8.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.18 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.49 -179.37 15.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -158.28 170.44 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.07 -162.39 9.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.17 176.01 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.6 156.25 9.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -172.53 144.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -173.97 139.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.84 131.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -146.45 128.82 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p30 178.8 134.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -172.43 152.87 2.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.93 128.59 3.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -178.92 126.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.91 88.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tp -177.2 134.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.22 95.01 1.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 90' ' ' ILE . 3.1 tp -173.4 100.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.2 106.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -174.31 125.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -177.15 113.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.94 149.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.71 151.11 6.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.41 167.23 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t -157.48 159.04 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.83 172.86 12.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.44 95.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.0 m -139.75 133.12 30.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -143.43 145.9 33.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.23 4.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -173.5 163.05 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.35 132.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -159.34 170.34 22.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 139.41 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.61 149.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.91 175.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 67.78 144.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -171.51 176.6 3.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -172.33 149.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.07 172.36 43.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.121 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.9 123.5 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -144.08 130.49 19.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.58 -154.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.46 171.89 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.8 t -100.21 108.62 53.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.522 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -71.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.8 p -77.47 -31.91 54.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.252 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.32 -23.83 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.35 143.26 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.98 162.28 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 139' ' ' HIS . 74.6 t -134.56 123.04 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 t80 -175.84 122.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.59 110.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.45 136.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.35 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.29 123.43 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.0 149.21 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 47.3 mm -125.78 115.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.55 145.64 14.51 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.09 55.18 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.17 37.6 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -143.19 170.58 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 35.3 p -125.99 148.27 49.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.035 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.38 171.75 17.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.884 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.0 m80 -70.23 119.31 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.1 OUTLIER -64.76 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.6 OUTLIER 155.9 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -89.96 -25.09 21.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 97.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.4 ttt180 -102.5 146.26 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.89 ' HB2' HD21 ' A' ' 152' ' ' LEU . 35.7 t -75.07 127.83 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.17 35.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.2 OUTLIER -135.9 -46.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.2 p -109.79 -18.46 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.64 81.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' SER . 6.9 tptt -88.09 144.31 26.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 54.5 p -72.93 137.63 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -105.13 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 174.93 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -54.04 164.26 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 155' ' ' THR . 19.8 m -78.32 57.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -147.33 50.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -102.22 123.28 45.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -85.75 150.18 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.0 OUTLIER -136.05 101.92 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 82.63 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.87 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -117.37 -26.45 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.0 mp0 -77.59 158.05 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.855 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.6 pt -130.41 138.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.0 m-85 -147.2 -175.29 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.44 145.64 25.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -40.27 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.96 -30.02 65.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.9 m -80.63 -47.3 14.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -59.25 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.35 -63.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.48 -61.78 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 172' ' ' LYS . 25.4 m-20 -39.03 -38.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -123.21 58.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -144.42 157.25 27.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.6 24.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.77 147.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.21 130.03 1.55 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -176.03 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -171.2 158.35 29.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -174.24 151.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -150.3 -125.1 1.27 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.68 144.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -134.83 -155.7 7.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.11 176.06 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 158.19 -134.98 4.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 63.0 132.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.53 123.18 5.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 189' ' ' ILE . 40.7 mm -72.46 149.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 73.99 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.33 139.41 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.03 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 175.39 166.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.61 162.07 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.42 -145.45 4.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.52 174.7 31.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.24 -151.31 6.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -176.57 4.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -128.4 116.85 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.2 t -65.49 106.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.55 61.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.7 t -94.44 -67.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.63 -22.89 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 84.23 27.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.75 43.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 134.52 46.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.044 HG22 ' NE2' ' A' ' 31' ' ' HIS . 2.7 t -110.27 145.65 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -165.45 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -108.58 -27.82 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -63.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 1.6 tt0 64.2 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.519 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 38.2 t -125.41 117.77 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.45 152.67 23.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 49' ' ' VAL . 1.1 m -146.14 162.62 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' CYS . 7.0 mm-40 -36.86 -48.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.27 47.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -156.21 167.12 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.472 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 3.0 m -177.43 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -142.87 173.83 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.044 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.3 m80 -57.52 166.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 ttmt -68.33 -48.21 65.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -40.46 95.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB3' HG11 ' A' ' 12' ' ' VAL . 96.3 m -59.7 -46.44 89.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.718 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -71.55 95.33 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.88 136.22 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 48.1 t -51.95 114.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.364 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.9 tpt -78.31 10.04 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.1 t -106.35 -70.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -77.02 -21.4 54.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 80.79 21.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 128.87 46.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -53.05 151.99 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.884 HD21 ' CB ' ' A' ' 58' ' ' CYS . 12.4 mt -120.96 155.15 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 44.4 m-20 -174.23 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -49.16 175.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 48' ' ' THR . 67.8 p -97.06 72.29 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 7.0 t -175.68 43.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.791 ' CG2' HD13 ' A' ' 44' ' ' LEU . 5.8 p -107.05 169.84 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -148.02 163.8 35.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.78 159.18 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 10.8 t60 -145.42 145.08 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.18 71.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.565 1.166 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 165.55 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -176.1 -178.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -104.32 142.12 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.797 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.4 m-85 -135.99 157.37 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.884 ' CB ' HD21 ' A' ' 44' ' ' LEU . 17.4 p -87.89 153.5 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -38.5 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 59' ' ' LYS . 63.0 m -31.8 -69.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 35.9 m -41.65 -56.94 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 66' ' ' TYR . 5.1 t80 -45.8 -52.77 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -17.84 65.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -77.56 -54.3 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -46.38 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 62' ' ' TYR . 8.5 m-85 -67.92 -49.21 63.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.45 11.22 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -141.06 174.29 10.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.92 -164.72 12.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -174.72 176.58 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -142.54 -177.21 17.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -149.84 174.95 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.64 155.35 9.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -178.06 170.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.85 149.78 5.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.03 174.76 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.75 141.9 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -172.15 157.34 4.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.17 136.76 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.4 155.37 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -171.57 150.0 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -177.9 165.71 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.67 153.34 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.54 -172.44 18.41 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -166.42 170.83 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -168.16 162.02 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -148.77 160.84 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.75 165.56 38.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.4 tt -170.39 169.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.1 176.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -171.76 172.18 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.78 168.54 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -171.12 170.06 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 96' ' ' GLN . . . -167.18 178.7 41.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 95' ' ' GLY . 2.6 tp-100 -178.66 146.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.19 166.88 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.45 164.47 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.599 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.92 148.86 7.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.44 8.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.9 t -171.72 155.75 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 177.4 99.85 0.12 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -158.33 164.88 35.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.65 175.02 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.3 p -177.82 169.11 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.37 168.7 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -177.46 165.73 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.11 162.59 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -174.81 159.99 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -174.97 150.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.87 175.08 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.74 166.26 26.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.8 136.67 2.07 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -163.29 144.76 9.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 125' ' ' VAL . 4.3 m-20 -179.42 167.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -92.07 169.9 32.58 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.6 t -99.85 108.58 52.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.1 Cg_endo -75.05 0.7 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -70.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.505 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 19.5 p -78.02 -33.99 50.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 108.329 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.05 -22.0 28.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.01 143.2 55.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.512 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.49 156.03 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 130' ' ' LYS . 58.5 t -129.92 116.15 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -166.74 -47.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.72 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.92 163.52 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 68.3 53.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.581 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -108.89 134.37 51.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.997 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -127.13 150.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.3 mm -127.42 116.18 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.55 9.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.699 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.01 62.62 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.13 33.9 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -136.0 167.47 21.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 44.5 t -128.45 150.24 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.997 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.67 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CD2' HG22 ' A' ' 125' ' ' VAL . 44.7 m80 -70.27 125.75 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 141' ' ' SER . 2.2 ttpm? -65.7 75.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER 159.33 -44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -68.79 -23.12 64.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.049 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.48 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.27 135.78 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.939 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.6 t -58.15 126.67 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.15 34.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.35 -45.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.21 -17.56 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 74.96 14.74 81.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 137.67 32.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 134.29 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -98.87 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -174.31 128.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 69.79 175.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -60.58 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 14.3 t -158.7 25.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -103.02 158.87 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.47 115.64 19.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 8.0 p-10 -95.64 87.44 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' HD2' ' CZ ' ' A' ' 174' ' ' PHE . 0.0 OUTLIER -122.08 140.52 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 47.41 62.71 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.01 35.35 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 14.0 mt-10 -136.23 152.73 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.049 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.7 pt -110.94 136.84 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 26.3 m-85 -141.52 -178.89 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 31.7 p -93.9 146.68 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -47.01 -40.6 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.42 -29.92 67.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 3.3 m -80.52 -47.42 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.707 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -59.3 -33.52 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.6 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.9 mttp -47.41 -60.94 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 95.8 m-20 -39.38 -38.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.0 OUTLIER -123.49 59.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.59 90.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.22 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -175.35 111.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -138.4 -108.38 0.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -52.48 157.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.58 179.42 49.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -137.18 154.16 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -127.9 -106.72 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -173.79 132.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -143.94 141.43 10.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -175.66 175.69 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 157.5 79.15 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -103.35 112.03 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.12 73.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.829 HD13 ' N ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -152.35 125.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.829 ' N ' HD13 ' A' ' 189' ' ' ILE . 65.6 t60 -127.15 -62.75 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 23.2 t -158.76 -58.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.483 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 57.74 4.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 174.55 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -163.14 161.91 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.75 134.31 3.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.2 -162.72 10.52 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.84 -168.04 13.42 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 123.4 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -68.99 116.84 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -78.95 106.52 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 4.73 61.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -94.02 -67.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 7.1 tt0 85.89 28.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -120.59 155.83 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.2 137.15 38.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.932 HG22 ' NE2' ' A' ' 31' ' ' HIS . 59.3 t -104.11 141.9 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -122.62 141.9 51.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -37.64 103.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.45 -53.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -148.85 52.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.0 127.63 35.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' HD2' ' A' ' 35' ' ' PHE . 39.4 t -110.79 117.94 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.6 156.26 18.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.47 74.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 64.88 -81.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -27.61 3.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 8.1 p -89.0 172.79 8.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.948 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -166.35 130.85 2.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 56' ' ' ILE . 1.9 m-85 -139.13 169.38 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.932 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.9 m80 -62.55 164.03 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 18.8 mttt -62.38 -48.85 77.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.9 p -89.73 40.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.2 m -126.42 -53.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -38.26 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.659 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -150.05 133.1 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.6 t -45.08 114.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 12.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 57' ' ' TYR . 21.4 t -110.35 -71.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.9 p -75.53 -23.38 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 81.82 22.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 132.03 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.447 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p-10 -55.28 147.52 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.999 HD13 HG23 ' A' ' 49' ' ' VAL . 88.8 mt -128.22 133.45 48.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.67 96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.1 t 178.96 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 47' ' ' THR . 1.2 m -169.59 64.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 47' ' ' THR . 1.6 t -179.03 44.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.999 HG23 HD13 ' A' ' 44' ' ' LEU . 1.9 p -115.35 159.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -148.59 165.98 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.57 164.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -159.83 131.53 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.63 -113.25 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.17 49.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.43 170.28 20.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.678 HG21 ' CE2' ' A' ' 30' ' ' PHE . 1.6 pt -117.81 144.38 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.655 ' CE1' ' CB ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -141.99 151.2 42.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.5 p -81.99 145.78 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.67 -65.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.0 -49.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' LYS . 18.4 m -63.64 -58.13 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -40.23 -53.06 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.1 72.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -64.53 -48.95 73.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -64.97 -52.04 58.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 10.8 m-85 -58.47 -27.65 64.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.17 78.39 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.83 5.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 128.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.47 59.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 176.79 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.02 172.79 39.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -164.91 137.57 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 171.75 179.59 42.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.95 160.2 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.78 152.0 6.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.3 170.3 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.01 139.44 2.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -166.39 146.49 6.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.69 136.14 32.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.75 135.51 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.8 t -96.87 130.54 44.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -113.14 119.97 39.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -172.45 129.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.25 107.9 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.75 126.17 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -109.66 102.22 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.81 116.04 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.68 0.59 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 61.89 119.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -138.19 156.12 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.51 166.91 10.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.32 142.49 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.19 72.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.07 125.02 2.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.28 123.73 26.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -105.86 149.34 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.99 -62.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -179.19 148.81 0.55 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 102' ' ' ASN . 4.3 t -120.47 -49.05 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 101' ' ' THR . 61.7 t-20 178.53 99.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 92.86 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.806 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.13 167.46 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.33 105.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.0 p -176.96 105.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.68 144.5 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.4 ptp -176.84 143.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -132.76 150.2 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -113.29 115.61 28.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 176.63 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 112' ' ' VAL . 27.1 m -75.93 61.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.25 13.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.24 -73.3 0.27 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.8 p -61.22 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.09 -153.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -131.52 173.1 20.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.523 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.1 t -100.05 107.85 49.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.586 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -91.39 -69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -80.15 -36.14 35.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.98 -27.29 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 141.78 56.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -54.39 165.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.948 HG22 ' CD2' ' A' ' 139' ' ' HIS . 53.2 t -135.9 117.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.4 t80 178.43 -50.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.26 78.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 58.92 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 67.03 51.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -115.24 133.19 56.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.52 146.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -124.07 116.4 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.59 147.7 18.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.604 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.11 62.89 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 134' ' ' ALA . . . 36.84 36.54 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.44 169.45 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.559 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 8.4 m -126.64 145.78 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.002 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.08 -178.7 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.948 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.2 m80 -82.01 133.81 35.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.411 ' CG ' ' HB2' ' A' ' 154' ' ' SER . 0.0 OUTLIER -68.73 63.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -179.17 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.3 m -61.22 -42.32 98.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -30.34 100.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 159.49 22.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 152' ' ' LEU . 40.4 t -77.09 127.97 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.91 -46.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.9 p -110.93 -16.66 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.45 -7.34 61.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -54.47 131.4 42.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.2 p -74.46 125.1 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -94.59 -174.1 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.71 64.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 140' ' ' LYS . 4.5 t 60.75 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 156' ' ' THR . 41.0 m 63.01 165.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 155' ' ' THR . 13.6 t 47.28 24.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.77 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -108.55 125.59 51.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.706 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -90.73 143.71 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.604 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.0 OUTLIER -131.47 99.18 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.5 OUTLIER -87.86 94.04 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 60.64 -82.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -117.75 -31.05 1.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.2 mp0 -72.54 155.72 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.786 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.9 pt -128.78 138.54 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 31.8 m-85 -145.16 -175.15 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.3 p -96.77 143.87 27.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -47.31 -39.03 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.32 -29.92 66.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -81.19 -47.72 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.6 -33.61 70.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.63 -64.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 22.4 mtmt -47.25 -63.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.43 ' OD1' ' CE1' ' A' ' 174' ' ' PHE . 37.5 t-20 -38.69 -37.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.4 m-85 -120.25 59.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -129.93 -85.5 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.59 139.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -171.59 -172.53 37.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.7 164.7 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.35 147.02 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -145.29 166.04 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -130.97 177.76 18.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.54 150.29 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.58 25.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.58 175.14 10.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -116.05 -168.77 15.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.04 157.8 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.44 -64.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 62.73 120.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -127.57 160.96 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.545 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.51 169.42 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.486 0.184 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.48 14.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -143.93 166.74 24.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -108.66 155.2 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.15 -140.0 6.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.82 -154.95 6.5 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.37 -150.75 8.1 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' OE2' ' A' ' 22' ' ' GLU . 4.9 tttm -137.64 -178.68 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 117.34 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t -78.63 107.87 11.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.14 61.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 13' ' ' CYS . 2.1 t -95.49 -68.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.521 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.1 p -78.2 -24.69 47.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 9.5 tm0? 84.98 27.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -118.4 145.88 44.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 137.07 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.99 HG22 ' NE2' ' A' ' 31' ' ' HIS . 7.4 t -94.33 143.66 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' TYR . 61.7 t80 -92.39 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.4 t80 37.63 89.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 175.8 -63.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.5 tt0 -82.75 -28.03 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' HB2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.87 133.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.6 t -127.89 117.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' SER . 18.5 pt20 -104.42 153.58 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -166.31 101.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' CYS . 8.1 tt0 38.29 74.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.97 -46.06 3.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 25.2 p -52.01 148.17 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.43 84.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 28' ' ' SER . 0.5 OUTLIER -128.66 161.58 29.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.99 ' NE2' HG22 ' A' ' 17' ' ' VAL . 60.1 m80 -58.3 156.45 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 tptt -50.57 -57.0 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.8 t -60.19 -42.09 94.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -56.8 -38.65 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.888 ' CE1' HG21 ' A' ' 49' ' ' VAL . 5.7 t80 -71.8 74.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -138.0 132.39 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.1 t -41.82 115.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.444 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 3.5 mmt -78.1 14.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -112.55 -71.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.3 p -75.54 -23.56 56.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.0 tttp 80.47 23.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.44 133.42 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 36' ' ' LEU . 36.0 t30 -49.84 144.76 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 13.0 mt -122.52 149.0 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER 162.85 147.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 109.356 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.73 67.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m 50.39 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.3 m 84.27 -44.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 p -64.98 146.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -126.04 166.03 17.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -116.17 143.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -152.35 130.32 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.35 -111.59 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.3 51.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 0.809 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -167.17 166.0 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.621 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -111.92 148.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.621 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 3.0 m-85 -146.84 126.55 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.3 p -59.19 148.35 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 60' ' ' SER . 3.8 ttpt -38.0 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -31.82 -69.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.2 m -42.1 -58.19 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -43.92 -50.84 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.8 -23.21 72.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.4 tttp -74.89 -48.08 26.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.786 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -62.34 -44.97 95.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 10.7 m-85 -68.22 -47.44 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.61 98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.79 5.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.51 158.28 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.77 -174.88 39.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -173.79 176.42 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.59 -169.61 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.14 176.28 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.99 -165.39 13.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.06 170.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.03 -174.52 33.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.64 175.42 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.08 -165.04 13.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -168.29 163.75 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 176.11 9.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.96 144.32 9.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 t -140.11 146.95 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -149.63 167.04 27.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.95 176.23 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 -171.12 30.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -178.75 170.65 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 t -178.66 170.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.66 176.4 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.28 152.5 6.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 tt -172.65 149.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.68 157.88 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -174.05 157.41 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -178.14 168.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 179.33 171.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.61 165.8 28.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 171.02 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 170.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 174.33 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 148.87 6.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.35 6.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -140.11 163.52 32.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -138.41 132.67 16.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -179.89 148.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.38 175.89 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.8 p -178.0 170.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.37 153.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.38 167.9 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.17 176.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 156.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.48 156.92 8.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -174.26 157.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.51 173.74 40.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.86 -169.68 12.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 158.38 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -157.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.35 171.32 20.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 45.1 t -97.41 109.48 50.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -6.58 18.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -66.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.1 p -80.55 -41.72 23.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.275 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.9 -25.16 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -56.15 -173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.5 160.07 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.917 HG22 ' CD2' ' A' ' 139' ' ' HIS . 93.1 t -134.19 123.37 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.82 -67.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.638 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -152.9 178.85 9.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 80.03 -54.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -131.5 43.37 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.617 ' HG3' HG12 ' A' ' 125' ' ' VAL . 8.7 tttm -101.83 123.51 45.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.8 p -123.58 149.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.4 mp -129.95 115.41 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.83 150.78 22.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.648 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.61 47.41 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.87 37.53 28.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -145.46 173.31 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.606 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 5.9 p -128.43 149.59 50.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.04 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.15 175.25 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.917 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.9 m80 -73.96 129.0 36.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -58.34 -15.8 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 -51.94 5.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 7.2 m -68.4 -59.19 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' A' ' 164' ' ' ILE . 4.6 t80 -34.36 100.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -143.46 158.35 43.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.624 ' HB2' HD21 ' A' ' 152' ' ' LEU . 41.8 t -50.73 125.8 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.28 32.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -133.45 -46.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -111.11 -27.5 8.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 108.289 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.19 17.36 50.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -81.37 115.88 20.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 1.1 t -48.09 149.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -156.33 174.73 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -159.37 -43.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 153' ' ' GLU . 0.3 OUTLIER -174.45 -177.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 156' ' ' THR . 8.8 t 40.33 42.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 167.22 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.435 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 1.043 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -66.79 155.43 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 1.043 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -134.83 104.99 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.648 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.7 p30 -88.53 102.35 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 79.11 9.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.71 -76.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -125.82 -2.12 7.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.4 mm-40 -101.78 168.05 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.836 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.0 pt -137.03 137.05 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 50.6 m-85 -150.07 -174.16 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.1 p -100.8 151.48 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -41.62 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.02 -30.21 66.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -82.48 -47.91 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.577 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.4 t80 -57.8 -32.68 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.38 -60.69 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 173' ' ' ASN . 12.3 mtmt -47.61 -61.19 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.7 m-20 -39.57 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.8 m-85 -122.79 61.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -126.85 85.2 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.5 11.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 171.34 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -89.42 162.69 30.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.39 165.87 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -176.83 170.43 43.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -175.69 133.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 173.67 117.13 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -136.92 162.73 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 139.71 149.42 5.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -146.75 149.85 34.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -66.86 163.84 43.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -93.89 68.38 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.05 72.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.9 tt -59.64 148.33 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 62.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.4 79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.958 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.03 28.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.38 99.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -178.27 161.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.27 -168.61 16.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.07 -173.56 32.88 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.56 -156.97 8.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' NZ ' ' H ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -117.81 -179.5 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -129.41 117.49 20.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.8 t -81.97 106.22 13.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.45 5.19 61.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -94.7 -67.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.46 -23.44 37.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 84.34 28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.7 151.33 37.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.11 140.92 49.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.962 HG22 ' NE2' ' A' ' 31' ' ' HIS . 39.6 t -104.67 157.36 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -91.31 -79.52 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 177.14 167.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.17 -68.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.57 -28.46 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 17' ' ' VAL . 89.1 mt-10 -38.85 136.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 35' ' ' PHE . 72.1 t -122.47 117.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.18 162.34 25.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 111.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.43 54.96 3.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -175.35 161.25 2.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 77.7 p -167.16 123.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -135.5 175.72 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.962 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -61.23 177.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -80.12 -52.82 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -66.63 -36.18 81.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -56.53 -40.16 74.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 23' ' ' VAL . 6.4 t80 -62.03 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -139.04 132.52 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.747 ' HB2' HD11 ' A' ' 44' ' ' LEU . 42.3 t -46.55 115.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.73 12.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.922 HG23 ' CD1' ' A' ' 57' ' ' TYR . 22.0 t -110.11 -70.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -77.12 -25.57 52.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.84 24.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.96 129.66 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -62.24 145.96 52.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 37' ' ' CYS . 4.4 mt -129.36 145.22 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.53 81.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.1 p 57.85 112.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 177.64 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.595 ' H ' HG23 ' A' ' 47' ' ' THR . 10.1 t -175.0 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG11 ' HE2' ' A' ' 35' ' ' PHE . 3.4 p -78.29 159.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -132.68 165.13 25.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.48 142.75 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.554 ' CD2' ' HH ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -149.92 119.94 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 -94.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -141.57 43.09 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 0.814 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 11.3 mt-10 -152.09 159.06 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -108.78 140.02 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.922 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.2 m-85 -145.2 127.0 15.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 p -56.91 150.59 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' SER . 7.8 tmtt? -37.15 -68.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' LYS . 24.5 m -33.02 -69.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' LYS . 60.3 m -43.25 -55.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.296 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.622 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.04 -55.53 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.6 -17.64 67.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -75.65 -52.72 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -46.37 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.554 ' HH ' ' CD2' ' A' ' 52' ' ' HIS . 18.2 m-85 -66.67 -48.72 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.53 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.29 4.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 176.42 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.59 -165.02 10.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.05 174.27 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.52 -174.73 35.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.44 175.18 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.81 -169.92 27.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -161.99 170.47 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.88 -159.53 8.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.86 175.98 4.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.735 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.17 -162.21 9.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -167.87 153.12 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -135.56 159.44 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.0 m -145.03 170.48 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -144.82 165.39 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -153.72 167.42 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 176.62 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.42 -175.73 34.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.09 171.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -179.73 167.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.42 176.77 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.24 151.47 8.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.5 tt -173.33 153.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.95 164.22 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -165.82 168.68 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.94 160.6 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.67 166.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.04 156.3 13.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.65 158.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.797 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 t 177.86 155.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 157.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -165.72 120.22 0.93 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.35 4.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 m -132.47 149.42 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -101.34 132.72 21.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.39 4.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -127.3 162.71 25.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.38 170.89 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 169.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.06 145.48 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.7 ptm -119.55 162.6 18.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -144.96 170.75 15.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -166.28 164.18 17.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.15 164.71 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.2 p -170.37 162.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.16 82.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.5 174.06 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.63 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.946 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.02 -153.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.89 172.3 23.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.5 t -100.29 108.11 50.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -93.65 -70.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -77.89 -33.18 52.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.01 21.62 20.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.86 133.18 53.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.769 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -43.32 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.872 HG22 ' CD2' ' A' ' 139' ' ' HIS . 79.7 t -134.06 119.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 41.0 p90 -178.05 171.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 71.93 -78.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.94 48.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 66.83 51.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -125.12 90.24 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -81.96 149.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.3 116.68 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.85 153.45 25.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.51 52.71 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.89 42.14 6.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -149.51 165.69 31.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.6 m -123.83 139.69 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.99 174.23 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.872 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -75.87 127.6 33.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -56.42 -18.06 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -52.2 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.98 -59.74 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.935 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -32.28 103.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.69 143.67 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 t -41.91 126.66 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.89 33.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.423 ' HD2' ' CD1' ' A' ' 165' ' ' TYR . 6.7 mttt -133.76 -46.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.6 -25.56 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.37 20.97 46.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.04 115.91 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.8 p -60.43 141.98 55.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -174.51 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 140' ' ' LYS . 4.2 pt-20 -164.48 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 155' ' ' THR . 60.0 p -134.77 137.65 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 154' ' ' SER . 77.0 p 44.36 -168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 157' ' ' LEU . 25.8 m 70.54 -55.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.934 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -46.93 172.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.934 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -146.87 120.56 9.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -92.86 101.68 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 99.61 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.9 t0 43.1 57.15 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.73 -46.69 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 19.0 mm-40 -53.13 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.935 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.5 pt -133.75 131.7 56.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.9 m-85 -143.76 -171.84 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.5 p -102.71 142.34 34.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 -42.81 5.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.93 -33.02 59.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.85 -47.42 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.06 -31.5 65.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.07 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 27.9 mttt -45.78 -59.03 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 11.8 m120 -38.45 -43.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 2.1 m-85 -132.06 62.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -174.9 65.72 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.75 5.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -129.96 -62.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 170.85 94.55 0.1 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -170.65 51.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -80.7 152.48 33.6 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -142.28 173.14 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 165.23 114.64 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -111.08 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 126.02 -109.53 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 64.14 152.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.75 170.96 28.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 189' ' ' ILE . . . -175.67 -61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.76 -66.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.441 HD11 ' HB1' ' A' ' 187' ' ' ALA . 2.7 mp 65.69 89.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -124.71 147.48 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 93.6 p -63.78 114.17 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.941 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.521 0.201 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.24 4.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.16 149.2 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -97.96 118.9 35.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.53 -62.88 2.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.91 135.82 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.4 -99.3 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.67 178.02 5.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -123.22 114.42 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.6 t -80.38 105.91 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.99 5.66 61.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.79 -65.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.559 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.4 p -83.94 -22.86 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 83.67 29.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.94 158.0 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 135.86 37.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.817 HG22 ' NE2' ' A' ' 31' ' ' HIS . 60.7 t -98.42 155.42 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -141.06 153.83 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 28.3 t80 -53.56 98.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 180.0 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -146.92 51.29 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.669 ' HG3' HG11 ' A' ' 17' ' ' VAL . 4.4 tt0 -92.31 134.18 35.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.704 HG11 ' HD2' ' A' ' 35' ' ' PHE . 52.9 t -120.08 117.82 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.89 156.99 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -140.52 141.7 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.27 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' CYS . 2.6 mm-40 -36.84 -52.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.5 48.29 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 176.53 -177.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 94.2 p -172.7 129.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.808 ' CD1' HG23 ' A' ' 12' ' ' VAL . 3.8 m-85 -145.36 175.59 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 17' ' ' VAL . 77.8 m80 -69.01 171.49 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.6 tmtt? -69.73 -42.68 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -90.65 37.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -127.85 -47.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.255 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.747 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -52.1 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 ' C ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -152.16 129.69 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.3 t -48.95 111.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.2 9.3 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.3 t -105.93 -73.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -73.4 -25.07 60.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 84.3 24.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.25 128.91 44.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 36' ' ' LEU . 7.1 m120 -60.89 144.31 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.99 HD13 HG23 ' A' ' 49' ' ' VAL . 17.3 mt -125.32 139.81 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.6 83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.46 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 169.35 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 46' ' ' SER . 35.0 p -153.96 -171.02 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 47' ' ' THR . 1.7 p 54.97 27.32 9.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.99 HG23 HD13 ' A' ' 44' ' ' LEU . 5.4 p -106.38 152.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.687 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -136.37 165.74 25.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.11 174.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.619 ' H ' HG12 ' A' ' 51' ' ' VAL . 37.7 t-80 -169.5 95.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.42 -125.0 24.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -91.8 35.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -148.53 154.97 40.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.809 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -118.51 144.33 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.7 m-85 -143.4 148.85 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.48 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.5 p -84.58 156.05 21.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -39.18 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 59' ' ' LYS . 19.0 t -32.17 -69.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 40.1 m -41.88 -58.43 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.687 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.67 -55.03 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.21 -20.08 62.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -78.86 -47.2 17.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -52.77 46.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -67.64 -48.42 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 41.61 81.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -128.76 135.46 49.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.4 -161.3 37.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 165.88 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.19 172.32 44.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -172.13 170.47 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.15 -154.45 6.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.95 163.95 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.34 -158.56 26.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.59 105.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.69 155.09 16.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -160.62 134.52 7.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.54 121.97 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.5 p -173.3 122.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -127.73 157.82 39.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 p30 178.56 162.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -170.85 146.53 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.43 175.84 22.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -165.69 145.54 6.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.38 147.57 25.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.452 HD13 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -140.23 147.99 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.452 ' H ' HD13 ' A' ' 88' ' ' LEU . . . -143.01 152.04 23.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.75 147.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.14 163.24 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 14.2 p90 -158.7 149.9 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.48 150.9 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -173.58 147.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.47 126.49 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -177.32 131.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.0 p -175.97 121.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -177.29 150.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -156.33 137.64 9.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.54 36.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.9 t -172.54 122.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.76 141.18 1.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -166.03 149.09 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.14 153.2 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 170.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -155.52 145.47 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.06 168.84 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.6 170.05 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.59 153.43 31.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.36 133.38 25.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.43 146.38 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.18 128.66 1.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.15 160.39 32.68 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.21 130.19 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.99 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.511 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 1.6 m-20 -150.75 -154.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.66 172.07 23.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -100.49 108.01 51.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.482 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.06 -0.08 9.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.5 p -77.94 -33.48 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.6 21.99 17.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.54 135.37 50.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -45.24 155.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 139' ' ' HIS . 70.9 t -134.63 127.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -171.58 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -75.82 -166.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.46 152.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.44 55.25 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -124.73 124.43 42.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.963 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -129.58 146.38 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.7 mp -126.42 116.53 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.54 145.28 15.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.767 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.73 57.73 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.71 31.95 2.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -133.4 170.67 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.511 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -134.58 140.03 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.963 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.42 173.69 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.848 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.3 m80 -78.46 116.73 19.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -43.6 -26.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 139' ' ' HIS . 23.7 p -68.59 -55.6 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -67.74 -56.21 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.065 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.1 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.6 ptm180 -135.4 152.29 51.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.538 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.5 t -46.27 126.94 8.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.68 33.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -46.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.5 p -110.22 -22.28 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.08 19.01 63.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 116.36 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 52.1 p -44.71 139.34 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.628 ' CD1' HD12 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -103.86 -173.7 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.7 p 46.91 -168.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -75.25 63.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.0 m -133.0 8.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.699 HD12 ' H ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -103.1 -175.1 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.699 ' H ' HD12 ' A' ' 157' ' ' LEU . . . -142.15 108.17 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.767 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -96.99 92.97 6.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -128.66 140.85 51.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 163' ' ' GLU . 17.4 m-20 47.84 64.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.48 28.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -127.17 152.88 46.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.065 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.3 pt -117.71 138.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 50.5 m-85 -143.98 -175.91 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 31.5 p -98.61 144.8 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.17 -39.79 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.17 67.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -81.99 -48.16 11.79 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.584 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.69 -33.35 70.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.97 -62.86 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 173' ' ' ASN . 46.4 mttm -47.47 -61.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 172' ' ' LYS . 4.2 m-20 -39.59 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -121.97 59.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -125.64 76.67 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 168.44 24.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.92 63.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -134.55 155.72 22.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -175.53 113.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -145.28 -63.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.33 131.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -118.93 -154.6 9.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -121.57 -59.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -42.95 125.26 4.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -153.53 167.08 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 151.48 -158.39 27.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 62.06 109.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.13 -62.52 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.41 66.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.99 171.2 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 3.0 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 176.66 164.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -160.76 161.63 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.09 162.31 12.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.71 175.74 42.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 170.92 39.17 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.31 178.28 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -129.92 115.0 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -70.27 106.76 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.339 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.71 5.39 61.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.69 -66.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.557 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.6 p -82.63 -23.38 34.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.6 tt0 85.02 28.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -117.09 147.49 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.34 148.71 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.027 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.6 t -125.6 163.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.76 177.69 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.4 t80 -96.01 64.57 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 177.96 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -40.53 93.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HA ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.9 129.25 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.761 HG11 ' CD2' ' A' ' 35' ' ' PHE . 54.8 t -100.69 117.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 119.84 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -128.55 147.39 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -47.82 -60.79 2.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.34 -27.48 24.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 161.16 -173.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -110.33 133.78 52.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.7 m-85 -137.35 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.027 ' NE2' HG22 ' A' ' 17' ' ' VAL . 53.1 m80 -62.68 175.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' SER . 1.6 pttt -74.2 -47.67 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 4.3 t -72.36 -35.02 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 m -57.07 -40.53 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.778 ' HE1' HG21 ' A' ' 49' ' ' VAL . 5.6 t80 -67.26 78.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -138.67 136.84 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.538 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.4 t -50.15 114.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.55 10.83 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.967 HG23 ' CD1' ' A' ' 57' ' ' TYR . 39.9 t -106.5 -68.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.8 p -78.55 -25.42 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.1 tttp 85.85 23.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 128.09 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.419 ' CG ' HD12 ' A' ' 36' ' ' LEU . 3.0 m120 -57.58 144.59 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.862 HD13 HG23 ' A' ' 49' ' ' VAL . 11.5 mt -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.26 -64.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.79 79.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -158.88 86.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.886 HG22 ' HB2' ' A' ' 59' ' ' LYS . 20.9 m 53.19 62.65 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.862 HG23 HD13 ' A' ' 44' ' ' LEU . 9.9 p -103.42 150.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.69 165.56 21.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.528 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.64 165.61 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 38.2 t60 -166.11 108.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.36 -105.77 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -119.27 45.06 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.34 158.12 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -116.27 144.26 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.967 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.5 m-85 -143.93 132.13 21.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.742 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.3 p -68.95 136.7 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.886 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.6 OUTLIER -39.85 -60.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.22 -48.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 m -62.85 -54.89 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -45.05 -51.53 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.38 -24.61 76.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -71.84 -36.79 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -81.86 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 38.5 m-85 -57.65 -30.3 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.52 98.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.59 11.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 175.76 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.78 176.82 48.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.62 176.02 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.37 169.89 39.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.86 176.28 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.11 -177.97 41.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.6 mtm -179.34 169.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.75 173.8 46.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.13 -178.06 35.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -131.52 177.41 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.366 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.86 171.32 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.9 p -149.62 169.86 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.5 m -151.5 145.51 25.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.33 165.64 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 175.95 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.34 -169.06 21.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -172.59 169.84 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.7 p -165.13 170.02 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.948 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.7 mt -148.85 175.75 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.24 179.6 41.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 tt -164.7 173.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -166.88 173.32 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -173.91 173.56 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -173.22 165.52 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -179.78 156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.64 160.88 25.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -178.43 147.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 170.02 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -147.66 173.06 13.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -151.46 94.88 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.22 7.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 111.06 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.4 m -149.73 154.37 38.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -155.5 132.69 6.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.2 7.58 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -153.94 165.67 35.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -156.95 174.91 14.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -172.0 168.88 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -165.91 166.66 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.43 167.72 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.2 174.46 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -154.1 168.06 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.12 175.81 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.36 143.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.84 36.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -143.76 -176.08 17.47 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.8 m -164.32 171.99 14.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.2 OUTLIER -176.82 177.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -100.22 171.63 23.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.7 t -98.28 108.83 49.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.97 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -91.92 -69.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.456 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.0 p -79.25 -37.19 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.6 9.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -111.67 138.42 48.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -50.72 153.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.829 HG22 ' NE2' ' A' ' 139' ' ' HIS . 92.3 t -134.61 116.18 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -127.26 -161.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -42.48 136.58 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 66.67 133.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 60.96 43.02 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.6 OUTLIER -132.82 98.3 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.0 p -89.2 152.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 90.0 mt -131.94 115.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.51 153.83 25.38 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.9 45.58 18.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 50.25 42.41 41.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 13.5 mttt -148.37 166.8 27.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 137.62 54.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.55 173.65 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.829 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.7 130.42 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -60.44 -14.52 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -50.71 8.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.78 -59.36 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.135 ' CE1' HD13 ' A' ' 164' ' ' ILE . 3.2 t80 -32.56 105.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 11.3 ptt-85 -150.58 145.53 25.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.2 t -42.6 127.16 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.55 34.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 0.1 OUTLIER -135.05 -46.53 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.9 p -110.14 -21.63 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.43 19.36 62.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 117.54 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 11.8 p -57.46 141.1 48.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.881 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -114.28 -174.98 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 154' ' ' SER . 2.6 tm-20 -172.81 56.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 153' ' ' GLU . 0.4 OUTLIER 38.97 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 m -157.26 -60.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.9 t -139.6 48.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.881 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -101.35 175.14 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.808 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -135.21 152.57 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 6.7 p30 -127.27 105.08 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -101.45 95.46 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 39.41 64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.82 -50.46 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.5 mp0 -52.98 156.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.135 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.6 pt -133.94 132.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 55.8 m-85 -143.1 -174.45 4.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.9 p -97.76 151.99 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -46.54 -44.0 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.09 -29.37 62.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.1 m -80.81 -47.38 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.582 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -59.06 -33.29 70.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.25 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.0 mtpt -47.8 -60.71 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.413 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 63.3 t-20 -39.99 -38.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -122.81 58.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -123.14 83.54 0.36 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.33 10.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.48 149.97 26.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -153.16 -173.65 22.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -110.24 158.38 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -100.49 80.56 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -108.71 125.78 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 137.91 117.82 1.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.9 126.2 33.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -91.53 65.02 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 62.58 66.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.781 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -87.65 78.57 1.81 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -80.17 72.11 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.25 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 6.3 pt -98.71 173.65 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -56.87 157.48 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 29.6 p -93.06 -58.41 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.997 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.13 4.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -164.33 166.78 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -146.91 162.1 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.48 150.88 5.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.15 169.95 27.32 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.51 164.08 10.56 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.77 173.68 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.64 113.36 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.2 t -71.84 107.47 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.57 5.73 60.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.2 t -96.62 -66.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.92 -22.88 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER 83.77 27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.4 144.94 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 140.96 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.033 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.0 t -109.41 140.68 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.09 145.78 45.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -37.26 102.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.84 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.9 pt-20 -134.69 -57.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 27.37 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 35' ' ' PHE . 55.2 t -85.44 118.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -71.98 164.6 25.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -161.61 76.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' CYS . 5.0 tt0 37.32 78.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.92 -47.17 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.39 175.34 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -164.85 110.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -116.9 162.69 17.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.033 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.5 m80 -60.16 158.62 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.556 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HA ' HG21 ' A' ' 23' ' ' VAL . 6.0 tttt -52.16 -39.26 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.66 31.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 12' ' ' VAL . 53.4 m -132.21 23.85 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -122.35 71.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.4 tt -138.3 135.58 35.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.1 t -47.91 113.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 9.36 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.93 HG23 ' CD1' ' A' ' 57' ' ' TYR . 43.3 t -104.36 -68.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.2 p -78.76 -25.11 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER 85.8 23.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.28 127.18 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.544 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.6 p30 -54.07 148.05 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 49' ' ' VAL . 23.4 mt -122.99 141.62 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -139.9 -58.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.466 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -153.27 72.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 HG23 ' C ' ' A' ' 46' ' ' SER . 68.4 p -153.31 76.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' A' ' 59' ' ' LYS . 5.8 t 40.35 51.68 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 35' ' ' PHE . 3.3 p -78.12 144.99 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -126.14 166.09 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.41 158.09 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 14.2 t-160 -162.81 114.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.18 -109.24 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 50.31 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.22 160.95 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.614 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.39 145.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.93 ' CD1' HG23 ' A' ' 39' ' ' VAL . 23.1 m-85 -145.29 131.29 19.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.651 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.1 p -69.25 140.93 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.37 -67.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -31.37 -56.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.81 -58.95 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -44.37 -59.82 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -21.56 55.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -40.21 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -73.75 -57.11 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -65.47 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.94 178.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.54 5.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -112.87 164.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.96 -164.41 24.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.71 170.01 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.57 -174.34 28.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -156.18 156.74 34.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.4 -169.99 12.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.08 170.62 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -159.91 -175.58 31.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.54 174.48 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.87 -163.34 9.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.9 m -148.81 159.31 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 110.407 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mp -117.56 168.98 9.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.73 169.76 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.8 p -146.66 163.89 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.32 167.37 25.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.89 170.66 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.44 160.32 29.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -176.82 145.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 p -169.93 152.12 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 pp -168.53 151.4 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.14 130.35 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 pt -150.87 166.53 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.53 159.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -149.94 156.15 41.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.0 144.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -160.53 148.42 16.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.21 153.94 11.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -174.09 144.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.1 t -169.79 158.53 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.93 172.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.04 148.81 30.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -142.41 157.95 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.97 130.74 20.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -157.94 125.39 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.86 169.88 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 167.26 30.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.72 125.86 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 tpp -159.84 121.39 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.31 174.55 15.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.66 143.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.48 117.45 6.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.13 139.23 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.29 -151.0 5.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.157 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.49 -135.41 6.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.5 m -87.68 154.13 20.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.8 -153.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.44 172.15 23.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -99.83 108.24 50.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -93.96 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.4 p -77.68 -32.68 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.34 21.67 21.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.78 134.1 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.413 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -44.57 155.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.846 HG22 ' CD2' ' A' ' 139' ' ' HIS . 68.9 t -134.34 124.26 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 8.7 t80 -170.58 136.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.2 -154.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.39 138.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.06 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -145.49 134.5 22.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -132.28 147.92 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.85 116.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.62 157.57 27.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.88 48.82 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 45.27 45.1 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.93 158.8 38.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.3 OUTLIER -115.02 140.88 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.78 174.33 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 108.027 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.846 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -76.72 128.57 34.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.465 ' CE ' ' HG2' ' A' ' 153' ' ' GLU . 10.2 ttpt -56.87 -17.62 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.92 -51.9 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.8 m -70.98 -59.01 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 108.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.755 ' HE2' HD22 ' A' ' 157' ' ' LEU . 2.0 t80 -32.79 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.542 ' C ' HD11 ' A' ' 152' ' ' LEU . 2.1 ptt180 -143.73 166.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.9 t -64.27 126.94 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.32 33.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -133.78 -46.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.7 p -110.23 -23.6 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.85 58.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -86.52 118.8 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 89.2 p -52.4 145.9 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.542 HD11 ' C ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -118.49 -174.31 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 140' ' ' LYS . 2.4 mt-10 -156.54 -66.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 166.64 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 155' ' ' THR . 53.7 m 38.99 48.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.3 m -169.07 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.755 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -62.31 169.69 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -143.27 115.7 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 6.0 p-10 -90.59 104.11 16.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 95.31 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 43.89 59.21 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.53 -45.65 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 47.2 mm-40 -56.09 163.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 143' ' ' PHE . 13.6 pt -136.99 135.49 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.3 m-85 -148.59 -174.02 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.0 p -100.58 147.8 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -43.81 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.47 -32.07 60.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.6 m -80.63 -47.95 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.408 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -56.65 -31.99 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' A' ' 175' ' ' GLY . . . -81.0 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 6.3 mtpm? -45.83 -60.15 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.633 ' HB3' ' CD2' ' A' ' 174' ' ' PHE . 6.7 m120 -38.27 -42.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.633 ' CD2' ' HB3' ' A' ' 173' ' ' ASN . 3.6 p90 -179.04 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 174' ' ' PHE . . . 65.09 -145.42 49.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 171.0 19.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.32 -51.89 64.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 116.64 -177.6 16.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -171.52 130.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -164.3 141.68 7.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.67 143.99 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.97 169.71 52.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -155.35 60.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -102.65 78.53 0.33 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -107.92 99.64 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -93.21 104.45 3.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -126.23 94.67 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 17.6 tp -160.31 134.32 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 17.3 tt -101.58 160.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -125.74 167.55 15.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.622 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.42 164.2 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.982 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.521 0.201 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 t30 179.09 92.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -176.29 158.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.27 -162.51 10.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.08 47.77 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.88 -170.1 42.94 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 3.6 mttt -116.14 -177.42 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -123.3 126.75 47.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.0 t -83.79 108.64 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.84 4.62 60.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.88 -68.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.533 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -78.06 -24.86 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.28 27.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 146.16 47.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 138.69 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.3 t -104.27 141.08 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.69 169.63 8.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.51 91.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 -60.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -113.9 -74.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HA ' HG11 ' A' ' 17' ' ' VAL . 7.9 tp10 39.43 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.9 t -91.99 117.58 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.05 155.81 40.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HG ' ' HE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -137.71 141.18 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -36.29 -53.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.82 47.14 1.03 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 171.78 -164.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.422 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 m -170.53 131.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -140.12 173.89 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 52.4 m80 -66.25 174.62 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.8 tttm -67.73 -61.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 p -60.11 -34.85 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.2 m -56.21 -38.85 71.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -63.72 79.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.2 132.43 23.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.5 t -45.02 115.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.74 15.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 37' ' ' CYS . 18.1 t -113.62 -71.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -75.82 -23.12 55.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.81 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.5 ttmt 81.42 23.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -95.13 130.02 42.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.3 m120 -63.53 146.37 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 56' ' ' ILE . 6.2 mt -126.91 166.53 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 47' ' ' THR . 2.3 m-20 171.42 113.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.2 p 50.99 55.45 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 45' ' ' ASP . 66.4 p -138.55 -149.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -88.59 18.97 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.6 p -56.45 152.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.93 165.83 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG22 ' SG ' ' A' ' 25' ' ' CYS . 11.2 t -115.19 138.79 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 58.9 t60 -149.36 141.22 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.04 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.18 56.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -173.0 172.4 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.816 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -107.45 149.09 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 7.5 m-85 -148.25 125.36 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -62.4 136.38 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 60' ' ' SER . 30.7 tptt -37.13 -62.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 59' ' ' LYS . 3.4 m -34.57 -50.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.1 m -62.17 -55.77 25.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.1 t80 -43.16 -50.39 6.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.44 75.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -68.44 -56.95 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -62.25 -47.03 86.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.719 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.1 m-85 -60.34 -37.03 79.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.58 98.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.41 6.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.95 176.43 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.74 -179.25 45.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.15 175.68 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.24 173.83 36.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.46 176.62 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.48 -172.87 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.07 167.45 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.38 -152.59 9.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.29 172.28 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -145.89 -166.75 12.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 t -172.4 163.45 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pp -149.87 176.4 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 p -158.82 169.55 24.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -152.08 135.93 16.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -101.89 164.69 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 169.31 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.91 13.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.78 169.89 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -135.46 168.95 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.63 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -112.38 -149.9 11.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -152.6 142.5 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.84 167.55 13.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.78 170.02 16.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 29.7 tt0 -164.37 144.1 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -177.74 156.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.62 8.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.5 143.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 t -179.88 124.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -177.8 142.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -171.21 120.05 0.48 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.39 4.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -169.31 156.13 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -171.95 92.82 0.41 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -159.64 167.26 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.45 175.5 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -174.02 169.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.92 165.82 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.1 ptm -151.22 170.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.82 175.54 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -111.04 171.33 7.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -107.74 170.82 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -82.52 175.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.9 -140.32 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.57 134.75 3.95 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 m -149.55 161.54 41.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.5 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 5.3 m-20 -150.71 -157.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -137.76 171.69 23.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.1 t -99.75 108.89 53.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -70.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.7 p -79.26 -33.59 43.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.08 -26.55 14.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.21 138.53 57.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 0.72 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.71 165.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 71.6 t -136.25 123.64 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 14.7 t80 -171.06 135.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.64 -151.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.52 137.92 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.11 57.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 128.07 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.016 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.4 p -128.62 149.58 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -130.03 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 149.78 21.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.02 55.44 8.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.26 38.97 5.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -144.14 173.17 11.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.5 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 2.9 p -132.96 144.14 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.016 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.5 176.93 11.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -78.34 127.18 31.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -18.76 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.2 p -79.48 -53.16 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.75 -59.71 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.829 ' HE2' HD22 ' A' ' 157' ' ' LEU . 3.9 t80 -33.62 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 142' ' ' CYS . 16.7 mtt180 -128.03 170.64 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.773 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.2 t -72.5 128.34 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.18 34.91 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 -46.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.4 p -111.02 -26.55 9.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.75 19.93 52.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 130.16 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.426 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -50.19 144.07 7.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -110.36 -173.12 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.76 174.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.9 t -50.8 149.32 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.5 m 39.14 65.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.51 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.829 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -71.76 169.53 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.78 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.02 98.67 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.728 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -86.1 104.27 15.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 76.78 9.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.62 -76.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -121.96 -13.89 4.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.6 mm-40 -92.3 168.29 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.4 pt -137.32 135.55 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.3 m-85 -148.36 -173.29 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.4 p -99.64 148.91 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.48 -43.87 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.45 -32.16 60.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.2 m -80.51 -47.18 14.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.595 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.5 t80 -57.15 -32.02 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -82.23 -65.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.1 mmtm -45.28 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 3.0 m120 -38.08 -44.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 173' ' ' ASN . 3.9 m-85 -133.78 63.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -37.6 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.9 11.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.38 80.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.7 t80 52.99 171.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -177.79 91.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -95.88 139.33 32.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -149.08 79.88 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -174.92 56.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.796 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -69.4 126.3 18.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -166.51 131.34 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -150.93 76.62 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -101.74 126.81 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.87 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 189' ' ' ILE . 3.0 mp -97.49 69.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 17.4 t60 41.03 77.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 32.8 m 61.94 170.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.971 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.534 0.207 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.98 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -179.96 166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -174.94 156.7 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.22 156.23 9.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.29 179.25 47.5 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.16 179.31 41.63 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 179.55 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -121.62 121.62 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.5 t -80.93 105.54 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.251 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.43 6.29 61.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.8 t -94.2 -65.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' HG12 ' A' ' 12' ' ' VAL . 29.0 p -84.52 -23.0 29.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.6 tt0 83.84 29.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 175.46 5.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.81 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.855 HG11 ' HG3' ' A' ' 22' ' ' GLU . 98.2 t -109.24 135.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 4.7 t80 -113.93 123.1 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 18' ' ' TYR . 18.2 p90 -37.51 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.57 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 32' ' ' LYS . 4.7 pt-20 -134.5 44.57 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.855 ' HG3' HG11 ' A' ' 17' ' ' VAL . 6.4 tt0 -92.06 132.59 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 32' ' ' LYS . 74.3 t -120.11 117.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -97.2 161.61 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.84 170.57 20.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.01 110.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.45 54.81 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -171.04 168.73 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 50.3 p -169.86 123.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -138.28 165.03 27.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.756 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.2 m80 -59.92 155.03 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.632 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.4 ptmt -52.21 -36.58 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -93.93 23.57 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 12' ' ' VAL . 35.4 m -127.08 31.41 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.851 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -133.59 87.3 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.78 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -141.55 133.36 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 39' ' ' VAL . 44.4 t -45.4 114.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 14.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 57' ' ' TYR . 15.7 t -113.51 -72.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 9.5 p -74.5 -24.34 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 83.63 21.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 126.98 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.51 147.77 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -124.88 163.69 21.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.96 -66.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 p 170.16 110.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.12 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 48' ' ' THR . 13.3 t -136.84 62.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.851 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.4 p -113.06 173.35 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -155.54 164.78 38.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.39 154.49 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -156.0 127.0 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.16 -117.74 3.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.83 47.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -159.31 165.3 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.715 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -114.52 148.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 2.0 m-85 -145.63 143.79 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.8 ' HB3' HD21 ' A' ' 44' ' ' LEU . 19.7 p -78.01 136.59 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' THR . 11.7 tttt -38.34 -61.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -34.14 -49.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.7 m -62.96 -57.1 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.327 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.633 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -43.02 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.66 -26.75 72.13 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -44.85 76.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -69.63 -55.72 9.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 62' ' ' TYR . 12.6 m-30 -58.22 -28.11 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.48 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.06 11.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.11 174.05 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.52 -177.58 47.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.1 176.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.37 -172.99 35.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.58 175.43 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -172.04 -175.29 40.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.19 167.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.95 166.09 24.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.1 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.04 174.03 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -171.51 -176.63 40.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -171.95 163.1 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.44 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -174.11 174.78 2.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.22 160.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -171.71 159.59 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -171.99 166.65 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.65 175.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.63 172.33 39.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.43 166.2 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -177.35 168.42 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -176.39 175.7 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.32 -178.75 47.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 tt -173.02 170.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -176.45 175.6 1.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -173.48 171.5 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -178.18 168.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -178.23 170.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.52 173.35 41.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -178.41 169.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p 178.42 167.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 166.76 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.84 95.0 0.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.83 9.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -171.73 158.98 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 176.77 99.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 175.31 161.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.1 175.96 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 161.56 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.24 165.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.23 170.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.28 164.68 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -177.3 167.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.5 160.61 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.7 p -174.4 168.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 155.29 159.76 9.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.11 150.37 6.02 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.75 150.77 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 0.8 OUTLIER -160.67 -153.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.51 172.13 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.6 t -99.42 108.93 52.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -2.35 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.16 -70.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -79.41 -34.84 41.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.52 -25.92 14.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -61.15 141.57 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 163.2 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -134.94 117.11 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -159.7 139.18 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.496 ' O ' ' CD ' ' A' ' 130' ' ' LYS . . . 66.34 -157.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.04 134.45 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 77.67 61.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -146.11 93.04 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.9 p -84.73 149.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 34.6 mm -127.02 116.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.54 146.25 15.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 159' ' ' ASP . . . 45.68 59.54 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.89 39.48 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -140.47 168.75 19.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -128.73 137.7 51.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.958 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -156.3 175.38 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -79.75 127.61 32.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.13 -16.81 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -51.99 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.502 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.19 -59.68 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -29.24 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptt180 -139.21 168.58 19.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.63 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.2 t -63.95 125.88 25.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.42 31.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -46.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.4 p -111.0 -26.45 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.29 20.67 44.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -88.19 118.09 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 98.3 p -49.64 145.65 4.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -120.57 -173.68 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -141.3 -65.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.504 ' HA ' HD23 ' A' ' 157' ' ' LEU . 7.4 t -175.89 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 156' ' ' THR . 23.5 m -81.1 67.21 6.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 169.46 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -70.42 173.62 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.702 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -139.06 111.04 7.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -90.48 93.64 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.0 OUTLIER -91.28 -163.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.92 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . 44.73 34.72 3.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.7 mm-40 -136.77 162.35 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.895 HD13 ' CE1' ' A' ' 143' ' ' PHE . 18.4 pt -130.69 136.67 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.5 m-85 -146.63 -173.65 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.5 p -101.35 150.03 23.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.534 ' HE2' ' HB2' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -45.86 -43.79 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.66 -30.31 62.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.3 m -81.89 -47.56 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.556 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.8 t80 -57.84 -32.56 67.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.534 ' HB2' ' HE2' ' A' ' 167' ' ' LYS . . . -81.29 -61.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 173' ' ' ASN . 8.7 mtpt -47.32 -60.74 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 172' ' ' LYS . 99.1 m-20 -39.66 -39.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 171' ' ' ALA . 4.9 m-85 -123.28 58.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -153.28 97.27 0.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 156.76 43.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -114.54 142.49 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.93 -149.06 8.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -149.93 172.48 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.52 -161.55 10.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.75 171.49 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -102.48 -167.35 26.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -149.2 170.93 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -109.67 -174.95 21.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.31 33.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -173.96 151.32 12.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.43 1.081 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -167.4 153.98 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 189' ' ' ILE . 0.2 OUTLIER -160.52 93.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 188' ' ' LEU . 1.9 tt 49.59 -177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 65.53 107.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 90.0 p 48.61 81.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.989 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.67 6.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.515 1.798 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 t30 174.86 130.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.8 162.11 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.18 152.64 5.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.7 167.63 20.58 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.59 159.51 8.82 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -179.84 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.75 121.93 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.5 t -81.89 107.74 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.04 4.55 61.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -95.48 -67.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.9 p -79.5 -23.24 43.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 83.27 27.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 146.13 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.47 153.04 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.036 HG22 ' NE2' ' A' ' 31' ' ' HIS . 47.8 t -119.86 156.3 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.58 118.61 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 25.0 p90 -37.61 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.52 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -111.2 -13.82 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.3 pt-20 -38.95 133.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 35' ' ' PHE . 53.4 t -116.11 117.19 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 165.67 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -148.79 145.44 27.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' CYS . 33.1 mt-10 -37.6 -52.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.84 48.7 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 176.44 -174.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 0.722 . . . . 0.0 110.002 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.465 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 48.3 p 179.46 117.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.41 172.33 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.036 ' NE2' HG22 ' A' ' 17' ' ' VAL . 36.7 m80 -59.19 175.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 10.5 ttpp -71.79 -55.57 7.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -66.13 -36.88 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.59 -39.74 74.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.6 t80 -66.74 78.22 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.2 tt -138.62 134.51 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -44.93 115.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.468 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -78.88 13.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 HG21 ' HD2' ' A' ' 57' ' ' TYR . 22.0 t -110.35 -70.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.0 p -76.86 -23.55 52.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.6 ' O ' HD11 ' A' ' 36' ' ' LEU . 30.2 tttt 81.43 24.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 126.25 50.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.735 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -47.48 146.09 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.988 HD13 HG23 ' A' ' 49' ' ' VAL . 32.1 mt -120.89 155.4 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -147.85 175.98 10.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 p -63.85 96.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 48' ' ' THR . 7.7 t -163.12 -50.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 47' ' ' THR . 11.8 t -170.09 39.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.988 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -85.82 146.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -127.33 164.92 20.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 ' SG ' ' A' ' 25' ' ' CYS . 4.5 t -120.49 148.06 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -151.39 134.83 16.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.623 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.79 -104.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.77 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 1.0 OUTLIER -167.37 168.85 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.631 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -107.74 149.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 4.9 m-85 -146.92 136.18 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.895 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.0 p -74.05 135.84 43.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -37.34 -62.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -34.15 -50.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.2 m -61.5 -58.16 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.281 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.59 -52.1 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.85 -25.21 75.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -69.32 -57.91 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -46.54 90.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -61.17 -39.15 89.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.63 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.95 5.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.56 157.67 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.07 -176.5 40.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.29 170.45 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.57 179.24 37.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 173.2 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.57 175.37 47.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.46 168.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.02 169.72 36.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.65 175.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.38 164.24 26.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.58 1.175 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.5 t -172.09 164.09 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.84 167.87 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p 178.01 159.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -172.06 165.04 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 177.58 166.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 176.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.97 171.4 36.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.43 170.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.07 169.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.96 176.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.77 160.69 15.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -172.37 169.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.51 168.05 3.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -172.93 167.3 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.47 167.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 179.64 170.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.41 156.53 8.71 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -178.48 166.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.19 167.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 170.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.82 94.98 0.11 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.6 p -132.08 177.82 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.12 99.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 p30 177.75 154.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.23 164.07 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p 178.19 160.25 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -179.19 158.92 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -178.77 159.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.64 162.8 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -176.24 164.69 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.09 149.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -165.8 152.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.78 166.79 35.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 174.27 158.93 19.66 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -175.19 144.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.64 -156.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -127.65 172.0 18.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -100.92 108.27 53.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -70.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.492 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.2 p -77.52 -33.05 54.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.12 -23.61 26.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.42 140.82 58.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -58.91 161.58 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 ' CD2' ' A' ' 139' ' ' HIS . 89.2 t -134.31 123.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 37.1 p90 -174.59 120.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.18 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.96 134.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.92 50.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.481 ' CG ' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -127.15 122.03 33.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -128.9 146.4 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.4 mp -124.05 116.08 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.33 140.99 9.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.788 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.49 56.26 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.85 36.47 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 2.5 mttt -139.57 163.11 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.609 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 50.1 m -121.74 148.72 44.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.48 171.94 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.79 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -71.24 123.94 23.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 3.0 tttm -67.25 73.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 3.2 t 162.82 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' PHE . 1.5 p -80.57 -28.03 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.331 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.18 100.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.99 155.37 20.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 38.7 t -75.49 126.65 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.01 34.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.56 -46.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.0 p -109.92 -21.5 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.22 18.51 69.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.55 133.1 37.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.81 120.86 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -94.72 -174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -166.47 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.8 p -76.37 174.27 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 155' ' ' THR . 5.8 m -72.75 61.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 167' ' ' LYS . 98.6 m -123.01 31.12 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -99.97 166.45 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.234 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.83 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.68 117.62 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.788 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 14.1 p-10 -95.45 89.36 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -124.71 139.63 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 46.43 61.55 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 39.12 36.4 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.511 ' CB ' ' CZ ' ' A' ' 165' ' ' TYR . 4.1 mm-40 -134.77 152.03 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.874 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -112.43 130.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 163' ' ' GLU . 34.7 m-85 -137.57 -177.08 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.5 p -96.23 147.77 23.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 156' ' ' THR . 0.0 OUTLIER -46.52 -41.49 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.2 -30.88 64.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -80.85 -47.33 13.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.648 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 2.1 t80 -58.26 -32.67 68.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.38 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 173' ' ' ASN . 5.7 mmtm -47.36 -60.92 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 172' ' ' LYS . 5.1 m120 -39.56 -38.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.2 m-85 -123.46 58.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.97 97.18 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.6 8.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.39 167.71 28.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.62 115.64 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -175.2 165.25 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 77.98 171.17 37.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -116.57 159.98 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -130.31 -66.82 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.28 141.58 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -156.84 -117.67 0.55 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 62.25 127.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -103.32 178.88 25.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -156.57 140.01 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.623 ' H ' HD23 ' A' ' 188' ' ' LEU . 2.6 pt? -106.82 160.07 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.02 148.23 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -113.81 117.54 31.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.602 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 11.1 m -82.63 121.94 27.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.979 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.461 0.172 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.78 5.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.808 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -158.49 119.37 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -96.54 162.04 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.18 46.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.83 -173.92 45.14 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . -167.77 -146.47 4.94 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -87.34 177.73 7.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -125.74 110.69 14.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.5 t -69.29 107.78 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.92 4.61 60.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.84 -68.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.544 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.7 p -79.1 -25.62 43.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 8.7 tt0 86.44 27.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -119.76 145.95 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 134.56 48.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.047 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.7 t -99.35 119.52 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CZ ' ' CB ' ' A' ' 20' ' ' ALA . 2.1 p90 -69.99 125.41 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' ' HA2' ' A' ' 7' ' ' GLY . 25.2 m-85 -37.8 105.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' CB ' ' CZ ' ' A' ' 18' ' ' TYR . . . -172.57 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -113.45 -74.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 43.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.676 HG11 ' CD2' ' A' ' 35' ' ' PHE . 69.5 t -78.37 117.09 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.85 162.4 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.15 164.81 20.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.14 111.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.95 55.13 1.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -179.04 168.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.23 127.5 1.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -134.61 171.38 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.047 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.9 m80 -64.96 172.19 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -59.86 3.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -62.01 -35.22 77.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HB3' HG11 ' A' ' 12' ' ' VAL . 17.9 m -58.36 -43.44 88.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.758 ' HE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -67.26 78.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -135.11 133.14 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -42.6 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.331 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 mmt -77.25 7.14 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.9 t -103.18 -72.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -74.16 -25.51 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.53 24.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.73 132.68 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.0 145.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 HG23 ' A' ' 49' ' ' VAL . 12.4 mt -122.19 144.01 49.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -138.15 175.81 9.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -67.91 104.41 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 48' ' ' THR . 10.2 t -167.57 -48.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 48' ' ' THR . 5.6 t -171.92 45.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.971 HG23 HD13 ' A' ' 44' ' ' LEU . 10.9 p -92.74 146.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.064 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -127.47 164.16 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 55' ' ' GLU . 3.4 t -123.7 151.55 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' CB ' ' OH ' ' A' ' 62' ' ' TYR . 7.6 t60 -176.82 145.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.02 56.14 7.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.35 41.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 9.8 mt-10 -141.9 171.95 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -124.09 135.2 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.5 m-85 -146.49 143.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.969 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.3 p -73.42 131.96 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -40.51 -52.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 58' ' ' CYS . 1.6 m -68.67 -55.55 11.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.064 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 3.9 m-85 -43.35 -51.25 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.41 80.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -61.97 -40.67 96.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -54.87 8.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 22.7 m-85 -57.44 -21.2 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.74 -178.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.48 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 166.32 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.61 179.38 16.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.4 166.08 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.81 -161.6 10.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.28 173.69 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.15 162.9 30.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.44 165.05 33.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.74 163.13 29.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.94 168.7 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.81 150.59 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -153.37 135.38 14.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tt -175.15 119.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.7 p -163.79 139.68 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 t -165.34 139.2 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.0 137.94 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.85 169.63 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.08 146.44 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -161.97 143.65 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 110.344 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -173.1 160.5 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.92 148.29 28.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.08 166.04 12.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 90' ' ' ILE . 1.7 tp -171.95 115.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 148.47 42.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.37 146.4 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -168.02 134.95 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.31 132.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.4 158.02 29.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -140.91 139.74 34.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.72 150.35 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -173.01 145.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.28 94.48 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.08 23.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -146.52 138.26 24.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.82 154.85 39.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.98 38.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.07 160.93 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.74 82.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.71 123.26 17.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.45 141.7 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 147.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.2 97.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -162.97 116.08 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -177.19 -52.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.28 152.49 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.19 -169.36 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -103.47 96.32 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 p -140.1 164.85 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER 175.78 175.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -94.6 170.91 30.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 49.5 t -96.68 109.39 48.12 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.561 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -67.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.515 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -82.05 -38.15 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.04 23.44 8.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.2 136.42 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.482 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.73 147.71 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.819 HG22 ' NE2' ' A' ' 139' ' ' HIS . 49.1 t -131.14 116.37 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.9 -51.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.62 -168.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.25 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.29 56.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 136.57 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -132.6 147.03 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -126.23 115.56 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.79 153.2 25.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.3 53.86 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 42.67 43.72 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.433 1.083 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -150.18 158.33 44.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 116' ' ' ASP . 6.1 m -117.94 139.0 51.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 0.972 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.02 171.96 18.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.819 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.94 127.93 34.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -18.49 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -76.76 -52.69 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.9 m -69.24 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.096 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -33.79 103.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 140.86 28.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.416 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -41.48 126.95 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.2 -46.56 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.3 p -110.07 -19.55 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.01 18.62 71.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 119.58 24.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 86.4 p -56.24 140.3 45.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -108.02 -175.0 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 178.84 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 176.31 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 155' ' ' THR . 7.9 t -73.19 58.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.783 HG23 ' HD3' ' A' ' 167' ' ' LYS . 26.6 m -130.8 33.14 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.908 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.7 OUTLIER -109.13 -178.56 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.908 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.13 117.23 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 12.9 p-10 -93.38 99.79 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.51 96.66 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 41.35 58.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 94.89 -49.53 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.1 mt-10 -52.23 158.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.096 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.8 pt -133.83 133.21 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -144.4 -175.3 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.8 p -98.49 148.89 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.783 ' HD3' HG23 ' A' ' 156' ' ' THR . 8.3 pttm -47.04 -39.53 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -60.01 -30.0 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.1 m -81.54 -48.15 12.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.645 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -58.35 -33.39 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.19 -62.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.8 OUTLIER -47.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 172' ' ' LYS . 7.9 m-20 -39.42 -38.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.6 m-85 -122.08 58.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.28 -147.33 21.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -166.7 62.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.45 49.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -164.44 95.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -65.29 -177.87 6.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -145.47 -52.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.744 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 110.64 160.03 17.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -143.67 152.8 41.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 0.783 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.04 -121.78 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.573 1.171 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 61.24 120.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 186' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 187' ' ' ALA . . . 163.58 -144.07 9.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 186' ' ' GLY . . . 74.13 -62.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 189' ' ' ILE . 0.1 OUTLIER 74.63 -65.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 188' ' ' LEU . 0.9 OUTLIER 49.34 -177.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -178.36 174.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.23 105.89 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.974 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.474 0.178 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.6 5.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -170.26 167.21 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -155.49 161.16 40.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 107.969 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.12 -157.46 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.46 -179.89 48.79 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.87 -178.09 45.41 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD2' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -112.84 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.63 127.23 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.1 t -84.23 108.41 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.35 61.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.47 -68.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.531 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.82 -24.3 48.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.1 tm0? 83.7 26.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.31 144.89 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 156.89 15.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.057 HG22 ' NE2' ' A' ' 31' ' ' HIS . 43.9 t -130.72 161.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.412 ' N ' HG12 ' A' ' 17' ' ' VAL . 78.6 m-85 -95.02 176.09 6.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 76.7 t80 -83.48 69.69 10.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.67 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.1 mm-40 -62.84 -44.15 96.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -40.42 124.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.78 HG11 ' HD2' ' A' ' 35' ' ' PHE . 57.3 t -118.21 117.19 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.05 126.14 30.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.79 138.71 44.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.6 ' O ' HG11 ' A' ' 51' ' ' VAL . 8.7 mm-40 -39.16 105.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.94 -56.02 0.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.77 177.53 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.434 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 87.5 p -113.49 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.58 164.67 26.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.057 ' NE2' HG22 ' A' ' 17' ' ' VAL . 38.6 m80 -57.42 162.35 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -58.64 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.73 -30.11 71.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -57.82 -42.84 85.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.881 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -64.54 75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 41.9 t -42.07 114.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.29 13.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.1 t -112.62 -72.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 p -75.34 -20.6 58.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.339 179.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER 78.03 22.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 134.97 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.412 ' N ' HD12 ' A' ' 36' ' ' LEU . 13.6 m120 -60.78 142.48 55.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.938 HD22 HG23 ' A' ' 49' ' ' VAL . 2.9 mt -112.58 157.17 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.93 174.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.592 ' O ' HG22 ' A' ' 47' ' ' THR . 23.8 m -88.4 41.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -128.77 8.19 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG23 HD22 ' A' ' 44' ' ' LEU . 9.2 p -80.26 155.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -139.59 164.46 29.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' O ' ' A' ' 26' ' ' GLU . 4.4 t -120.01 173.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.575 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -162.51 169.71 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.608 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.71 100.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 43.73 52.47 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -163.95 162.24 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 36' ' ' LEU . 3.0 pt -127.11 128.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.8 m-85 -136.21 154.18 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.4 p -90.41 158.68 16.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -39.26 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.7 m -33.65 -68.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 m -41.98 -54.19 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -43.72 -64.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.22 -16.35 41.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -73.65 -52.51 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -53.83 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -61.44 -40.12 93.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.73 98.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.84 5.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.24 168.71 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.21 172.54 42.74 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.496 1.122 . . . . 0.0 111.055 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.75 176.72 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.02 168.29 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.47 176.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.38 175.71 47.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.57 170.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.39 177.82 45.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.01 175.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.42 169.47 42.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -172.38 147.06 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -168.45 152.65 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.25 162.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t -172.3 165.02 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 t70 177.17 163.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 175.63 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.73 152.23 5.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 179.29 169.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.5 p -177.9 169.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 175.21 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.7 158.84 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.6 tt -173.4 171.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 175.01 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -174.21 166.92 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.83 171.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -178.48 171.29 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.94 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.3 169.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -176.43 169.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.65 174.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.98 148.91 19.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.79 5.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -168.45 161.11 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -163.48 99.83 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.56 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -157.28 167.74 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -177.01 170.95 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -178.84 170.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.9 167.37 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.3 ptm -162.54 170.52 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.71 175.74 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -166.19 171.31 12.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -144.55 164.6 30.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.1 t -147.81 137.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.6 166.41 36.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 178.37 -159.34 24.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 m 66.96 138.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -167.26 -156.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -126.25 170.71 18.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.504 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 36.7 t -100.12 108.29 51.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 138' ' ' TRP . 18.5 Cg_endo -74.98 0.21 9.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -93.0 -69.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.505 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 14.1 p -77.33 -33.74 55.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.133 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.38 23.43 16.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 125' ' ' VAL . 3.3 mt-30 -112.6 135.83 52.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.49 145.93 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.728 HG12 ' HG3' ' A' ' 130' ' ' LYS . 59.3 t -133.25 129.81 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.95 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -72.25 -168.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.47 147.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 72.88 56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.728 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpt -129.51 101.05 5.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.3 p -93.18 148.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 130' ' ' LYS . 4.3 mp -127.29 115.36 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.86 20.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 45.49 57.03 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.99 42.05 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -146.01 162.05 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.2 OUTLIER -120.97 141.45 50.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.35 171.06 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.505 ' CE1' ' SG ' ' A' ' 121' ' ' CYS . 40.6 m80 -69.07 128.0 35.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -67.12 70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 139' ' ' HIS . 6.0 p 166.55 -50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.968 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.6 p -60.95 -27.6 68.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 1.011 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.05 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.59 137.09 45.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 145' ' ' CYS . . . . . 0.717 ' HB2' HD21 ' A' ' 152' ' ' LEU . 34.0 t -64.32 128.74 37.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 35.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.512 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.9 OUTLIER -135.84 -46.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.3 p -109.58 -17.25 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 72.58 16.11 77.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.85 133.46 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 t -68.03 121.5 16.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -88.99 -173.3 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.1 71.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.05 53.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 155' ' ' THR . 21.3 m -132.92 56.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 167' ' ' LYS . 94.8 m 49.44 91.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -99.66 127.83 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -84.47 154.16 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.836 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -131.29 95.34 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.62 99.58 11.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 13.8 m-20 38.57 70.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.08 -48.99 4.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 30.9 mm-40 -53.1 149.08 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 1.011 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.2 pt -127.25 134.67 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 42.7 m-85 -143.36 -177.01 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -96.85 144.13 27.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HB3' HG22 ' A' ' 156' ' ' THR . 2.0 pttt -46.11 -40.71 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.15 -31.37 65.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 169' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -80.39 -47.78 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 170' ' ' TYR . . . . . 0.472 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.77 -32.59 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.04 -63.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.3 -61.94 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.459 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 51.6 t-20 -38.76 -38.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.8 m-85 -123.73 58.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -92.82 -169.34 39.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.54 5.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.84 65.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.45 108.58 0.61 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 92.67 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 147.8 93.08 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -158.06 109.42 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -177.2 142.78 5.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.41 170.36 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 161.02 77.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -89.37 -61.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 76.45 168.65 27.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.466 ' O ' HD22 ' A' ' 188' ' ' LEU . . . -118.84 150.83 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 187' ' ' ALA . 4.1 mm? -124.34 68.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -42.81 119.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.83 117.04 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -58.59 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -124.71 116.46 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 41.7 t -79.38 107.73 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.54 61.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.514 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.3 p -80.62 -19.99 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 79.43 27.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -118.45 149.96 40.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 138.15 45.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.012 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.8 t -104.86 145.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 158.91 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.15 96.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.0 -60.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' GLU . 42.6 mp0 -106.68 -77.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLU . 11.7 pt-20 38.38 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' HD2' ' A' ' 35' ' ' PHE . 40.7 t -78.96 117.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -76.17 145.6 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 77.2 m -147.82 156.21 42.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -40.46 116.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 39.33 52.82 2.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 175.59 172.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.4 p -161.67 132.8 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -137.46 167.63 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.012 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.3 m80 -60.44 168.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.0 tttm -60.48 -44.08 96.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.37 34.26 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 m -129.52 21.69 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 108.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.873 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -129.01 86.66 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -144.79 134.43 23.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.7 t -47.67 112.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 5.89 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.823 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.1 t -101.86 -73.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -72.44 -23.34 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.347 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 81.45 23.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.01 134.49 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -45.15 153.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.008 HD22 HG23 ' A' ' 49' ' ' VAL . 10.1 mt -117.37 174.11 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.21 166.41 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 94.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -167.33 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 48' ' ' THR . 14.9 t -166.9 59.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.008 HG23 HD22 ' A' ' 44' ' ' LEU . 4.2 p -110.49 159.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.063 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -151.88 163.3 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' C ' ' HH ' ' A' ' 62' ' ' TYR . 3.3 t -124.22 166.66 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -164.35 121.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.04 -107.05 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.25 43.33 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mp0 -148.87 164.21 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -131.38 135.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.823 ' CD1' HG23 ' A' ' 39' ' ' VAL . 9.0 m-85 -140.67 166.57 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.55 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.1 p -93.64 134.54 35.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CB ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -41.16 -55.98 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LYS . 47.8 t -38.65 -42.06 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.3 m -70.62 -57.95 4.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.063 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 6.0 m-85 -40.31 -51.37 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.72 79.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -39.42 81.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -53.84 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 23.4 m-85 -57.84 -18.71 23.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.88 151.24 5.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.53 161.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.6 p 177.81 144.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -173.89 150.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -177.95 85.31 0.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.56 42.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.2 t -172.63 144.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 26.6 p-10 177.6 99.85 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.96 154.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -179.46 155.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.98 153.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.64 152.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.76 -156.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -124.42 171.58 16.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.81 108.01 51.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.98 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.421 ' HA ' ' NH1' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -95.91 -71.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.464 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 23.1 p -76.56 -30.95 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.75 -23.29 31.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.18 143.24 57.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -62.61 160.2 14.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.715 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.7 t -133.07 119.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.6 t80 -153.34 138.68 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.16 -159.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.66 140.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.93 58.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -144.77 100.25 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.1 p -93.27 148.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.41 115.76 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.63 18.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.6 59.97 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.03 40.03 1.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -144.02 166.05 26.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -125.44 147.78 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.017 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.28 171.28 12.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.715 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.6 m80 -71.64 126.28 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 4.8 tttt -67.73 69.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.5 t 170.62 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.6 p -72.3 -30.65 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.953 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.57 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -121.4 148.09 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.555 ' N ' HD11 ' A' ' 152' ' ' LEU . 35.0 t -60.99 127.65 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.51 35.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 -46.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.11 -21.2 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.79 72.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.68 158.37 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.7 p -82.27 145.13 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.555 HD11 ' N ' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -134.05 -174.44 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 -64.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 156' ' ' THR . 0.6 OUTLIER -160.57 151.55 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 157' ' ' LEU . 69.3 m 67.85 -64.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' SER . 67.8 p -44.69 -26.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -73.37 146.51 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.886 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -127.64 118.88 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.689 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 38.8 p-10 -90.54 95.87 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -118.33 126.31 51.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 33.6 t0 55.25 27.67 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.83 -28.73 6.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -69.2 163.24 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.953 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -122.09 129.4 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 36.3 m-85 -138.04 -173.7 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.7 p -94.76 148.0 22.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -45.98 -42.18 12.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.08 -31.33 65.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 2.2 m -79.08 -46.62 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.469 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -57.75 -31.95 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.35 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 173' ' ' ASN . 60.2 mttm -47.92 -66.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.4 t-20 -38.35 -33.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' ALA . 81.3 m-85 -119.03 58.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.44 44.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -89.63 108.87 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.42 5.05 61.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.776 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -97.04 -67.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.7 p -78.91 -27.5 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 86.57 28.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -119.09 150.76 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 154.68 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.939 HG22 ' NE2' ' A' ' 31' ' ' HIS . 46.0 t -132.52 144.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -80.49 -179.84 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.8 m-85 -93.93 78.35 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 169.85 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 pt-20 -60.17 -37.04 78.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -39.21 130.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.4 t -122.14 118.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -80.51 136.86 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.407 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 3.8 t -141.5 139.48 33.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 105.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.75 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.4 176.91 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -113.58 132.07 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -127.63 170.99 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.939 ' NE2' HG22 ' A' ' 17' ' ' VAL . 49.3 m80 -58.2 171.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -71.06 -45.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.8 p -72.07 -35.55 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.42 -42.16 81.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.847 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.3 t80 -68.5 75.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -136.66 134.41 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.7 t -48.47 112.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 9.67 4.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.0 t -105.14 -68.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 13.1 p -78.57 -27.31 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.321 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 87.75 24.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.24 129.0 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -56.2 146.44 23.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 58' ' ' CYS . 14.9 mt -124.74 115.83 21.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.62 61.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.49 171.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' THR . 42.1 p -55.78 -165.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 48' ' ' THR . 2.1 m 62.71 12.62 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.0 p -100.81 148.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -129.81 162.85 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 52' ' ' HIS . 3.6 t -123.64 168.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 t60 -165.65 108.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.48 -108.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.36 38.96 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 21.5 mm-40 -146.71 157.81 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -122.92 139.75 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.895 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.9 m-85 -144.52 142.56 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.764 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.8 p -75.67 137.63 40.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -44.66 -56.26 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.4 m -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 5.6 m -68.31 -56.52 8.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.893 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.4 m-85 -43.81 -51.06 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.87 -30.68 70.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.24 92.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.95 -60.37 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -56.58 -21.73 28.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.48 173.27 46.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.48 171.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.21 170.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.81 174.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 ttp-105 -178.99 94.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -170.86 165.58 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -173.48 99.71 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -173.76 159.6 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.92 171.05 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.2 p -177.37 169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.73 165.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -179.03 168.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.99 -154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.26 21.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.592 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 42.5 t -101.79 106.49 47.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.612 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 -0.04 9.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.69 -66.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 19.2 p -82.52 -38.47 23.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.36 -24.36 9.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.39 144.24 57.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.469 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -60.67 164.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.92 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -134.01 116.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -155.65 -58.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.03 -171.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.27 149.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 80.2 58.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -120.87 97.51 5.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 138' ' ' TRP . 3.8 p -90.64 151.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.5 mt -138.24 114.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.88 152.23 24.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.23 57.88 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.06 38.84 0.84 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.562 ' HE3' ' CH2' ' A' ' 138' ' ' TRP . 0.4 OUTLIER -142.73 161.54 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.426 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -121.27 142.03 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.803 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.6 -175.94 5.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.92 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -81.36 139.68 35.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -78.22 50.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 p -158.21 -43.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 1.7 m -81.83 -29.06 32.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.171 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.6 t80 -52.75 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 0.5 OUTLIER -125.74 159.9 31.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 11.8 t -63.19 130.86 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.52 38.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -141.38 -47.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.08 -21.85 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.75 86.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -60.75 126.94 29.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.465 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 30.7 t -68.7 141.11 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.86 -174.01 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -154.06 -58.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 p 167.06 78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 156' ' ' THR . 32.8 p -141.32 -63.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 155' ' ' THR . 61.2 p -151.74 70.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.2 OUTLIER -102.16 139.07 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -95.25 152.95 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.649 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.7 OUTLIER -130.45 100.47 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 174' ' ' PHE . 0.4 OUTLIER -94.88 89.51 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 37.67 69.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 95.64 -52.32 1.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -56.25 151.27 12.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.171 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -131.73 132.54 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 59.9 m-85 -141.23 -178.51 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 169' ' ' CYS . 27.1 p -94.76 145.99 24.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -46.74 -40.71 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.45 63.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.9 m -81.76 -47.58 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.51 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 2.2 t80 -57.96 -32.29 67.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.55 -63.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 173' ' ' ASN . 33.9 mttp -46.78 -61.99 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.497 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 59.3 t-20 -39.21 -39.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 160' ' ' LYS . 1.5 m-85 -121.2 60.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -130.98 119.15 21.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -79.58 106.54 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.9 4.12 62.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.52 -68.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.613 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.04 -23.82 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.74 27.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.663 ' NZ ' ' H ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -117.72 149.81 40.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' H ' ' NZ ' ' A' ' 15' ' ' LYS . . . -69.23 145.73 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.009 HG22 ' NE2' ' A' ' 31' ' ' HIS . 48.4 t -115.1 158.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.14 131.09 41.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.97 101.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . -179.83 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -143.67 49.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.09 150.26 23.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 45.3 t -127.8 123.05 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -104.01 146.35 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.94 135.51 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.45 104.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.74 -55.52 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -154.11 172.88 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.16 134.38 51.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -132.06 164.93 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.009 ' NE2' HG22 ' A' ' 17' ' ' VAL . 66.7 m80 -57.49 160.21 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.2 tttp -57.07 -38.11 72.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.99 20.45 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 16.6 m -120.72 28.2 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.976 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.2 t80 -124.97 68.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -134.57 134.51 41.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.6 t -47.95 113.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 9.27 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -103.68 -67.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -79.85 -26.42 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 5.1 tttt 87.28 23.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 129.82 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.611 ' OD1' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.72 146.88 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 49' ' ' VAL . 18.2 mt -124.84 156.76 37.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -153.88 78.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.9 m 55.03 167.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 48' ' ' THR . 26.9 m 62.61 109.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 47' ' ' THR . 1.9 m 84.46 -45.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.976 HG21 ' CE1' ' A' ' 35' ' ' PHE . 12.3 p -49.09 144.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -132.49 166.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.68 147.25 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 32.8 t-80 -155.83 122.1 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.53 -101.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -129.49 52.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -165.9 160.03 16.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -110.67 142.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.953 ' CD1' HG23 ' A' ' 39' ' ' VAL . 24.6 m-85 -146.29 129.02 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.7 p -65.13 143.56 57.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 108.269 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.11 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -30.36 -58.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.5 m -50.59 -60.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -41.54 -61.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.85 -21.65 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -76.8 -38.75 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -57.96 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -63.98 -45.79 87.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.56 156.96 8.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.36 167.13 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 165.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 174.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 93.85 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.88 6.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -171.58 161.66 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.6 t30 179.7 99.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -162.54 167.65 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.47 175.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.8 p 178.57 169.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 168.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ttp -178.9 162.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 125' ' ' VAL . 1.3 m-20 179.17 175.58 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -96.81 171.46 27.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 40.8 t -98.17 108.96 49.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 18.2 Cg_endo -75.06 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -94.58 -69.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.6 p -80.04 -34.99 37.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.27 22.99 11.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 137.95 46.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.41 148.25 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.851 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.7 t -129.72 116.03 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.612 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.9 p90 -178.02 129.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 77.59 93.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 61.65 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.66 48.11 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.48 ' CB ' HG12 ' A' ' 125' ' ' VAL . 3.7 pttp -135.73 118.0 15.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.009 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -114.52 146.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -125.45 115.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.47 152.21 24.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 49.59 40.93 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.46 41.05 71.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.3 OUTLIER -148.42 159.94 43.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.478 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -116.12 138.91 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.009 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.8 173.76 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.851 ' NE2' HG22 ' A' ' 125' ' ' VAL . 35.3 m80 -80.11 117.82 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.643 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 153' ' ' GLU . 0.7 OUTLIER -43.68 -27.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -66.65 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.434 ' HG ' ' HG ' ' A' ' 118' ' ' CYS . 26.7 p -61.91 -45.71 92.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.955 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -47.42 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 21.5 ptt85 -144.09 144.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.496 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.5 t -41.82 129.24 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.19 33.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -135.32 -46.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.6 p -110.11 -18.02 13.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.9 0.03 89.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 121.96 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 36.7 t -60.15 144.23 50.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -113.68 -175.04 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 140' ' ' LYS . 1.8 mt-10 -143.74 -68.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.3 p 168.62 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 m -157.73 -58.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 10.1 t -105.25 43.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.935 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -102.71 144.84 30.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.935 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.41 119.61 27.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -97.8 105.38 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.71 91.86 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 160' ' ' LYS . 50.2 m-20 40.56 58.87 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.75 -51.49 0.98 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.538 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 3.5 mt-10 -53.96 161.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.955 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.0 pt -135.62 131.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 60.7 m-85 -144.78 -175.12 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.0 p -99.28 149.11 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -46.62 -42.88 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.33 -29.8 60.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 3.6 m -83.23 -47.32 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.484 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.4 t80 -57.59 -31.45 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.88 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 38.5 mttt -48.06 -65.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.5 t-20 -38.54 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 171' ' ' ALA . 80.2 m-85 -120.39 58.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -135.28 118.74 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 38.5 t -73.9 107.98 6.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.46 61.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.03 -67.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.4 p -78.56 -25.61 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 108.27 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.3 tp-100 85.99 27.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -119.13 145.25 46.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.12 12.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.005 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.8 t -126.99 158.58 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -132.71 131.69 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.8 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.2 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -144.74 50.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 32.7 tt0 -105.54 148.03 27.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 60.2 t -124.17 118.65 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.6 pt20 -107.55 136.54 47.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.17 145.2 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 116.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.44 -53.89 0.64 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -167.04 173.2 9.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 95.0 p -125.55 135.64 52.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.704 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -127.12 163.43 23.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.005 ' NE2' HG22 ' A' ' 17' ' ' VAL . 44.6 m80 -61.12 143.6 55.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -42.34 -55.8 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.18 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 m -62.02 -45.93 91.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 6.1 t80 -64.46 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.763 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -134.74 139.72 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -51.45 113.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.7 mmt -78.77 10.97 2.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.88 HG23 ' CD1' ' A' ' 57' ' ' TYR . 38.6 t -107.13 -69.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.5 p -78.05 -27.46 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 87.52 25.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -102.2 125.35 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.2 t30 -59.53 148.92 31.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 49' ' ' VAL . 2.1 mt -128.43 164.39 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -116.78 -80.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.513 ' C ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER 175.42 94.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 46' ' ' SER . 33.7 p -157.0 -54.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 48' ' ' THR . 14.5 t -143.95 47.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.1 p -100.89 150.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -124.39 164.41 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.38 158.6 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 t60 -153.12 110.4 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.22 -98.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.73 46.38 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -151.97 166.67 30.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.763 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -126.14 138.38 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.88 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.7 m-85 -143.33 141.22 30.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.623 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.2 p -73.5 137.17 44.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.91 -62.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -33.61 -52.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.3 m -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.696 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.18 -54.2 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.86 -21.82 71.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' CYS . 2.5 mtmt -76.37 -35.31 58.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -73.7 -60.61 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -64.72 -48.37 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.09 156.88 10.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.89 168.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 170.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 174.28 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -171.86 95.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 t -170.42 160.07 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -169.92 131.55 1.0 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.82 5.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -153.58 166.88 31.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.31 173.71 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -177.55 170.38 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.51 168.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -164.03 -153.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.44 172.76 21.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.6 t -101.49 107.53 51.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.97 1.19 8.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -70.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 18.6 p -77.66 -29.45 51.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 108.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.61 22.94 27.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.55 135.98 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -49.88 152.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.84 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -133.24 123.69 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -166.39 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . -110.21 119.78 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.31 132.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.11 54.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -122.18 112.93 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -133.06 148.44 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -128.52 115.09 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.62 149.96 22.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.554 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 49.44 49.03 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.0 36.63 21.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.5 OUTLIER -141.37 163.77 32.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.435 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 2.1 p -123.96 139.57 53.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.984 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -163.48 174.85 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.84 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.7 m80 -78.07 121.44 24.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -48.12 -23.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -71.6 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.64 -45.19 93.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.152 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.4 t80 -46.09 98.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 8.5 ptt85 -140.97 156.13 46.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.3 t -52.33 127.95 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.43 35.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -46.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.04 -21.46 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.46 19.52 64.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.29 118.16 24.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 79.1 p -55.85 140.02 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.43 -173.92 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.15 -49.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t 179.38 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.041 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.0 m -84.71 160.21 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 156' ' ' THR . 19.9 m 62.81 25.43 15.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -116.45 132.9 56.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.826 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -94.79 142.74 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.554 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -130.18 98.82 4.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 78.51 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.64 -77.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -115.99 -27.21 3.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.8 mp0 -77.3 156.92 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.152 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.9 pt -133.21 139.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 45.8 m-85 -148.95 -174.39 4.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.7 p -100.94 143.02 31.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -46.16 -40.64 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.47 -30.93 59.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 10.2 m -83.8 -49.06 9.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.3 t80 -54.87 -30.88 58.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.18 -63.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 7.0 mmtm -48.34 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.3 t30 -39.67 -30.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -115.02 54.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.58 115.2 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 43.1 t -69.91 107.76 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.67 1.07 63.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.9 t -92.74 -72.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.631 ' N ' HG12 ' A' ' 12' ' ' VAL . 15.1 p -72.84 -27.22 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 88.16 21.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -102.65 -175.57 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.88 125.85 54.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.053 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.3 t -94.47 118.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -97.17 -62.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.73 104.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.52 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 32' ' ' LYS . 6.3 pt-20 -169.1 61.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.02 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 35' ' ' PHE . 48.1 t -118.35 117.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.7 pp0? -101.93 140.44 36.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.88 134.56 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.1 105.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.39 -56.28 0.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -153.62 171.65 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 90.0 p -135.61 140.27 44.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.673 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -136.93 166.74 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.053 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -65.11 140.2 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -40.25 -54.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -44.14 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.766 ' HB3' HG11 ' A' ' 12' ' ' VAL . 72.6 m -59.19 -45.24 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.83 ' HE1' HG21 ' A' ' 49' ' ' VAL . 7.3 t80 -61.8 88.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -139.39 134.06 31.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.6 t -44.53 112.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.57 6.31 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.4 t -101.73 -72.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 12.1 p -73.39 -25.04 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 tptm 83.34 24.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.49 136.89 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.6 p-10 -45.45 145.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.5 mt -128.0 156.28 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.4 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -75.54 60.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 48' ' ' THR . 2.3 m -158.47 126.13 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 47' ' ' THR . 9.4 t 45.41 38.13 3.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG21 ' HE1' ' A' ' 35' ' ' PHE . 4.1 p -110.2 156.01 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -142.54 164.23 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.1 t -121.88 157.21 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 177.49 153.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 45.11 55.2 6.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER 39.35 43.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -149.63 173.9 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -114.93 137.54 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.881 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.1 m-85 -143.46 141.9 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.779 ' HB3' HD21 ' A' ' 44' ' ' LEU . 30.0 p -71.02 146.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -38.13 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 48.1 m -32.73 -69.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' LYS . 38.7 m -41.78 -54.07 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.22 -56.02 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.62 -18.25 67.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -76.0 -50.65 14.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.81 -48.16 75.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.2 m-85 -65.73 -48.55 71.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.02 160.12 32.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -148.99 137.61 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 147.9 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.56 173.57 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.37 88.33 0.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -144.34 142.58 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -147.11 132.66 9.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.34 7.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -169.72 120.39 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.0 140.84 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -159.85 150.53 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.84 148.59 28.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtp -118.0 149.13 41.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER -178.26 171.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -95.28 170.17 28.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.4 t -96.91 109.97 51.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.577 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -93.17 -69.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -81.81 -35.21 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.64 -27.4 10.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.09 143.32 48.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -64.12 157.27 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.831 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.5 t -131.52 116.04 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 127' ' ' ALA . 20.5 p90 -154.26 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 126' ' ' TYR . . . -85.56 -168.52 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.22 156.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 69.13 54.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.53 ' CG ' HG12 ' A' ' 125' ' ' VAL . 17.2 ttpt -130.87 132.88 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.987 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.23 147.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.3 mt -126.78 115.86 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.34 154.98 25.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.83 49.26 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.65 40.47 11.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.56 165.58 29.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.96 138.03 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.987 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.98 172.53 18.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.831 ' NE2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -79.4 119.98 23.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -43.77 -27.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -68.38 -55.12 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 144' ' ' ARG . 4.7 m -67.35 -56.95 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.1 t80 -34.53 95.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -133.93 148.54 51.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.608 ' HB2' HD21 ' A' ' 152' ' ' LEU . 33.0 t -54.97 129.08 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -136.12 -47.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.64 -21.47 12.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.16 76.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.36 156.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 p -90.15 133.82 34.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -103.07 -175.0 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.3 52.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.582 ' O ' HD23 ' A' ' 157' ' ' LEU . 0.2 OUTLIER 76.14 -57.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 15.0 t -80.42 159.44 25.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 156' ' ' THR . 60.5 m 54.43 32.14 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -114.05 160.74 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.82 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -136.46 124.25 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 3.2 p-10 -104.1 102.04 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.99 90.93 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.9 t70 39.63 64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.37 -50.89 1.62 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.7 mp0 -54.9 156.33 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.614 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.6 pt -133.08 129.71 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 58.8 m-85 -141.74 -174.5 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -99.64 147.53 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -42.32 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.07 -30.76 60.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.3 m -82.2 -47.57 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.468 ' HB2' ' CB ' ' A' ' 158' ' ' ALA . 2.3 t80 -57.11 -31.71 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.75 -64.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 10.3 mmtp -48.63 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.0 t30 -39.04 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' N ' ' C ' ' A' ' 172' ' ' LYS . 76.6 m-85 -118.02 56.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -133.77 117.19 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.2 t -78.52 107.31 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.94 7.42 55.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -98.37 -66.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.524 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.2 p -82.14 -23.69 35.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tt0 84.47 28.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 149.62 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 153.85 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 31' ' ' HIS . 96.9 t -117.67 157.12 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -164.71 179.9 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.68 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.55 -17.44 62.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 23' ' ' VAL . 11.8 pt-20 -56.91 -33.26 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.12 125.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.859 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.3 t -109.82 116.83 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 7.3 pt20 -100.48 166.53 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.555 ' HB3' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -170.22 159.17 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.33 117.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.15 51.79 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 166.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.439 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 81.1 p 178.65 132.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -135.9 179.72 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 17' ' ' VAL . 49.4 m80 -72.18 160.88 31.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CD ' ' HB2' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -59.76 -46.0 90.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -68.72 -31.68 70.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.28 -52.98 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.344 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.859 ' CD2' HG11 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -39.47 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -157.73 147.51 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 49.3 t -67.09 114.39 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 7.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.3 t -101.85 -67.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -79.4 -23.33 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.0 24.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -100.69 129.81 46.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.9 m120 -41.11 148.62 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.946 HD22 HG23 ' A' ' 49' ' ' VAL . 12.5 mt -114.33 143.95 44.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.61 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.4 p -44.68 168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' THR . 8.1 t -83.42 67.98 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' LYS . 5.0 t -176.35 48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.946 HG23 HD22 ' A' ' 44' ' ' LEU . 5.0 p -108.68 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -165.58 163.88 19.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 25' ' ' CYS . 4.0 t -121.7 162.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -147.34 143.6 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.624 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 70.99 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 163.16 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.94 -179.34 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.824 HD11 ' CE1' ' A' ' 35' ' ' PHE . 3.2 tt -107.63 143.71 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.8 m-85 -139.93 171.2 14.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.636 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.7 p -107.15 148.64 28.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.29 -66.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 59' ' ' LYS . 35.9 t -30.26 -71.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.6 m -43.18 -55.06 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.284 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.8 t80 -44.65 -55.88 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.14 -18.17 64.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -77.41 -54.27 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.779 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 4.4 m-85 -66.46 -48.83 68.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.67 141.1 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -177.61 148.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 146.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -175.64 158.18 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.79 18.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.68 28.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -123.26 169.13 11.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -167.12 99.85 0.64 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -151.72 164.97 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.75 139.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -152.18 155.06 37.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -179.46 145.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.45 151.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -158.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.43 171.35 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -98.11 108.22 45.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.524 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -3.59 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.88 -42.56 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.59 -24.83 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.15 161.45 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 139' ' ' HIS . 64.3 t -133.33 116.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.7 p90 -160.51 128.94 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 73.29 -155.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.04 134.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.0 61.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -148.95 95.32 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -90.79 147.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.82 116.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.93 155.67 26.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.42 48.97 16.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.37 41.82 12.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 170.1 18.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 13.1 m -126.69 138.77 53.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.961 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.56 171.45 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -73.1 128.27 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.595 ' NZ ' HG23 ' A' ' 131' ' ' VAL . 1.4 ttmm -56.2 -17.31 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -51.33 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.6 m -68.73 -58.74 3.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.082 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.2 t80 -30.32 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -140.92 147.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.3 t -45.87 126.17 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.35 33.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -133.98 -46.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 16.5 p -110.22 -23.32 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.46 22.38 56.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 111.76 21.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.9 m -53.29 135.35 38.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -106.33 -175.69 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.0 OUTLIER 163.48 -60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.8 p -51.33 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 156' ' ' THR . 14.5 t -174.26 -142.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 155' ' ' THR . 82.6 p 42.65 53.5 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -120.25 131.74 55.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.745 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -95.88 150.06 20.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -130.6 99.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.3 OUTLIER -96.2 89.34 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 4.4 m-20 38.41 79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.51 -47.34 3.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 24.6 mt-10 -59.99 148.33 35.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.082 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -131.88 131.41 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.2 m-85 -141.28 -176.81 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 169' ' ' CYS . 20.3 p -100.77 145.59 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 108.346 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -43.09 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.469 ' O ' ' CD ' ' A' ' 172' ' ' LYS . . . -55.26 -33.01 57.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.4 m -82.03 -48.17 11.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.604 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 3.8 t80 -54.77 -30.23 56.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -84.12 -60.31 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 168' ' ' GLY . 1.4 mptt -47.87 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 1.7 t30 -39.88 -29.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 6.7 m-85 -113.72 55.43 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 117.13 23.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . 49.0 t -82.02 106.19 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.47 5.24 61.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.67 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.6 t -94.24 -67.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.562 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.9 p -81.45 -25.28 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 85.05 29.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 164.18 15.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.32 147.27 31.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.2 t -122.13 165.95 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.466 ' N ' HG12 ' A' ' 17' ' ' VAL . 28.3 t80 -95.27 162.39 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 50.8 t80 -83.81 69.42 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.46 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -33.15 75.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.7 pt-20 -38.95 131.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' SER . 6.1 t -113.36 119.75 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -106.78 160.36 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -172.41 132.71 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER 60.21 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.41 28.98 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.6 m -137.34 169.09 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 89.7 p -152.15 127.3 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -139.95 164.11 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.876 ' CD2' HG22 ' A' ' 17' ' ' VAL . 78.0 m80 -50.39 160.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -78.76 55.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -173.0 -46.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.67 ' HB3' HG11 ' A' ' 12' ' ' VAL . 56.6 m -53.85 -27.98 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.367 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.859 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -62.94 79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -137.85 132.94 33.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 41.9 t -44.04 114.86 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.83 13.4 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.775 HG23 ' CD1' ' A' ' 57' ' ' TYR . 21.3 t -111.34 -71.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -76.07 -26.78 56.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.781 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.6 tttt 85.86 24.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.02 129.29 46.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.446 ' N ' HD12 ' A' ' 36' ' ' LEU . 27.3 p-10 -60.69 146.42 45.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -118.07 156.15 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 -69.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.08 115.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.67 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 8.9 t -141.27 42.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.859 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.3 p -88.36 146.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -126.72 164.12 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 ' HB2' ' A' ' 26' ' ' GLU . 4.3 t -121.21 162.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 4.6 t60 -161.82 123.26 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.3 -120.27 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.6 53.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -166.0 162.91 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.549 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -124.86 140.51 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.775 ' CD1' HG23 ' A' ' 39' ' ' VAL . 13.1 m-85 -139.67 147.48 41.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.5 p -80.77 139.14 36.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.41 -61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -34.57 -50.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 13.0 m -60.93 -55.77 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.24 -49.74 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.49 79.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -73.45 -38.45 65.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -76.8 -64.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.1 -32.3 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.85 -176.39 40.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.93 171.08 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 p -172.69 169.95 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -170.35 174.66 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -166.08 148.81 6.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.43 4.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -169.01 165.6 11.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.42 99.84 0.29 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.3 p30 177.77 155.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.28 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.8 p -179.14 167.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 177.96 152.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -167.45 168.31 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.7 -154.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -130.35 171.5 20.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.5 t -101.35 107.79 52.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.4 Cg_endo -74.99 0.75 8.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 21.3 p -78.3 -32.21 49.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.249 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.79 -22.89 29.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.04 140.37 58.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.67 163.35 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 72.4 t -134.61 126.85 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -131.39 179.68 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -57.87 100.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 165.41 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER -148.33 52.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -107.34 131.58 54.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.19 140.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 115.9 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.17 143.5 11.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.65 36.92 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.0 40.73 95.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -148.37 164.87 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.615 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.5 OUTLIER -110.26 143.14 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.24 168.14 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.4 m80 -70.87 119.55 15.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.0 OUTLIER -64.85 76.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER 156.08 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -90.0 -24.83 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.37 101.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 149' ' ' GLY . 6.4 mtm180 -117.65 149.48 40.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.9 t -65.18 129.14 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.77 34.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 -47.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.4 p -110.67 -18.57 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . 0.444 ' O ' ' CZ ' ' A' ' 144' ' ' ARG . . . 88.14 -5.7 84.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 149' ' ' GLY . 13.6 tttt -46.7 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.56 114.27 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -112.54 169.73 8.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 154' ' ' SER . 0.1 OUTLIER 166.26 47.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 153' ' ' GLU . 3.4 t 163.56 101.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 154' ' ' SER . 20.6 m 36.64 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 152' ' ' LEU . 0.6 OUTLIER 177.94 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.9 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -62.64 144.17 56.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.9 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -128.88 120.8 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -89.62 98.09 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -109.42 111.32 22.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 50.05 43.27 25.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.58 -37.54 3.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 8.1 mm-40 -59.08 160.78 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.862 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -125.55 131.53 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 38.0 m-85 -142.24 -174.19 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 22.8 p -100.27 147.26 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.34 -43.96 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.21 -33.49 57.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.59 -46.7 16.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -81.7 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.8 mmmt -45.27 -58.24 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.2 m120 -38.36 -44.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 160' ' ' LYS . 2.9 m-85 -135.14 64.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -130.83 126.68 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -83.07 108.64 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.68 4.36 60.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.145 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.765 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.64 -68.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.536 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.4 p -77.8 -23.29 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 82.75 26.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -119.67 147.71 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.9 152.6 44.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.023 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.5 t -127.99 158.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -96.37 169.17 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -83.21 81.86 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.32 -60.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 pt-20 -77.48 -35.6 53.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 -38.84 124.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.8 t -116.41 118.21 58.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.5 mt-30 -91.19 143.08 27.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.74 135.96 25.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -39.01 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.31 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HG ' ' HE1' ' A' ' 30' ' ' PHE . 3.1 p -156.5 174.68 15.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 85.9 p -128.29 143.25 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.765 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.3 m-85 -138.71 173.03 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.023 ' NE2' HG22 ' A' ' 17' ' ' VAL . 43.9 m80 -57.51 170.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -57.4 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -29.53 69.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.1 -40.89 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -69.51 72.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 56' ' ' ILE . 1.2 tt -138.62 132.2 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.658 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -44.78 113.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -80.06 8.71 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.053 HG23 ' CD1' ' A' ' 57' ' ' TYR . 53.7 t -102.33 -66.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 19.4 p -81.23 -28.04 34.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.344 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 88.35 27.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 130.3 50.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 36' ' ' LEU . 5.1 t30 -56.27 143.93 32.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 HD11 ' A' ' 56' ' ' ILE . 44.2 mt -125.31 131.37 53.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.78 -70.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -163.5 167.46 21.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.5 OUTLIER 61.04 134.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 59' ' ' LYS . 2.1 m 83.76 -43.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.845 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.4 p -61.18 138.92 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.18 164.8 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.21 138.86 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -140.73 130.0 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.05 -97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -137.25 52.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -158.76 160.69 36.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.724 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.33 143.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.053 ' CD1' HG23 ' A' ' 39' ' ' VAL . 50.7 m-85 -147.79 174.56 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.5 p -101.07 140.4 35.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.5 OUTLIER -36.81 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 59' ' ' LYS . 31.5 t -30.09 -70.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 36.4 m -41.53 -56.08 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.2 t80 -45.54 -53.98 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -17.88 65.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -78.18 -53.41 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -46.6 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 10.0 m-85 -66.89 -49.59 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -163.19 135.15 3.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.92 161.41 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.55 168.87 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 99' ' ' ARG . 83.4 t60 -176.92 167.13 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' N ' ' CG ' ' A' ' 98' ' ' HIS . 1.3 ptt180 -172.22 148.86 2.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.93 5.45 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -172.4 136.4 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -161.26 125.03 1.94 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.19 4.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.44 136.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.39 146.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.8 p -179.17 143.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.96 144.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 148.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -154.41 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.37 171.93 22.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 38.2 t -98.38 109.48 52.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -69.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -80.98 -35.17 32.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.5 -27.42 10.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.18 141.06 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.94 161.87 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.861 HG22 ' CD2' ' A' ' 139' ' ' HIS . 94.1 t -135.83 120.39 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.05 -53.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.0 -167.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.39 149.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.34 56.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.655 ' HG3' HG12 ' A' ' 125' ' ' VAL . 0.9 OUTLIER -126.21 93.45 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -91.83 148.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 38.7 mm -127.94 115.5 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.89 156.12 26.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.95 50.79 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.62 43.61 6.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.69 168.46 23.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 132' ' ' ILE . 12.2 t -124.6 138.93 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.943 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.25 172.15 19.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.861 ' CD2' HG22 ' A' ' 125' ' ' VAL . 37.3 m80 -75.41 125.24 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -53.1 -20.31 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 12.0 p -77.4 -46.58 22.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 143' ' ' PHE . 21.3 m -72.27 -61.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -32.67 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -134.88 145.84 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 152' ' ' LEU . 46.6 t -45.93 123.73 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 165' ' ' TYR . . . -89.25 31.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 2.7 tptp -131.15 -45.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.2 p -109.97 -22.05 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.27 19.84 61.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 114.4 25.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 59.8 p -51.01 134.08 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -99.35 -172.98 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.44 -59.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 t -176.47 147.37 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 156' ' ' THR . 99.2 m 64.11 172.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 155' ' ' THR . 15.1 t 46.94 30.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.676 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -112.97 133.36 54.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.619 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -96.99 100.29 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -85.68 97.31 10.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 162' ' ' GLY . 8.9 tptm -89.77 96.54 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.87 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -116.58 -31.16 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -75.37 162.88 28.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 0.804 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -139.82 134.23 37.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 146' ' ' ALA . 31.4 m-85 -135.34 -174.32 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 169' ' ' CYS . 19.0 p -98.36 143.45 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 -40.96 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.79 -31.28 57.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.9 m -82.8 -47.58 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 4.1 t80 -56.29 -30.5 62.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.17 -65.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -48.54 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 29.7 t-20 -39.02 -31.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 172' ' ' LYS . 70.5 m-85 -117.52 56.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -125.1 114.16 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HB ' ' A' ' 12' ' ' VAL . 46.4 t -73.06 107.55 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.06 61.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.522 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.4 p -80.78 -23.94 38.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.253 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 85.06 27.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -118.23 144.87 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 134.55 42.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.051 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.5 t -101.17 146.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -92.55 -57.47 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER 178.81 162.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 76.07 -57.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.0 tt0 -62.93 -45.34 92.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -47.3 120.79 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 21' ' ' GLU . 43.6 t -124.24 117.78 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.82 157.02 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.573 ' SG ' HG22 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.16 83.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 38.72 62.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.37 -50.73 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 m -68.13 173.48 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.036 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 5.6 t -160.84 128.28 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -141.75 163.8 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.051 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -60.51 144.39 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -47.51 -44.46 25.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -69.03 -35.63 76.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.563 ' HB3' HG11 ' A' ' 12' ' ' VAL . 23.0 m -63.67 -51.93 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.798 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -58.83 95.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.665 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -146.32 134.61 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 39' ' ' VAL . 48.8 t -50.85 111.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 3.09 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.8 t -97.11 -73.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -72.47 -21.6 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 79.27 22.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -100.29 135.72 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-80 -47.09 145.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.897 HD13 ' CG2' ' A' ' 49' ' ' VAL . 8.2 mt -126.96 103.16 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -161.07 86.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -176.43 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -174.08 174.18 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 48' ' ' THR . 8.9 m 62.66 52.93 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.897 ' CG2' HD13 ' A' ' 44' ' ' LEU . 1.5 p -119.03 174.72 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -153.96 164.76 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.573 HG22 ' SG ' ' A' ' 25' ' ' CYS . 4.3 t -120.01 171.17 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.531 ' H ' HG12 ' A' ' 51' ' ' VAL . 54.0 t60 -165.54 102.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.27 -107.62 0.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -113.12 43.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -153.15 160.25 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -125.52 137.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.902 ' CD1' HG23 ' A' ' 39' ' ' VAL . 16.2 m-85 -140.59 148.5 41.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HB3' HD21 ' A' ' 44' ' ' LEU . 24.8 p -78.04 149.28 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' HB3' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.45 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 59' ' ' LYS . 46.5 t -31.54 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 31.8 m -41.35 -59.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.42 -52.99 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.74 -23.08 66.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -75.61 -46.53 31.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -62.72 -48.36 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.03 -47.82 70.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.28 172.05 44.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 165.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -178.0 170.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -175.61 174.42 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.571 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.42 94.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.93 5.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -138.82 178.02 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -143.52 132.68 11.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.06 6.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -139.75 166.45 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.78 174.87 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.57 169.49 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.64 167.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.0 ptp -170.82 167.17 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.42 -158.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.38 171.5 21.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 139' ' ' HIS . 49.1 t -101.8 106.46 47.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.58 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -1.0 10.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.774 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -88.14 -65.77 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.481 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 22.6 p -84.87 -39.83 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.56 -27.58 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.53 145.87 47.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.41 163.2 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 139' ' ' HIS . 97.7 t -133.54 124.05 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 126' ' ' TYR . 7.0 p90 -127.54 -51.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -169.32 -173.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 77.34 -56.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.1 tt0 -134.28 44.53 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 153.03 20.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.1 p -146.29 145.85 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.82 115.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.95 151.94 23.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 48.99 53.96 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.22 39.46 1.58 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 162.33 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 0.735 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.586 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 31.0 t -116.08 149.98 38.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.934 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.24 -176.21 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.925 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.3 m80 -81.48 143.5 32.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -80.87 44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 t -150.99 -46.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.95 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.85 -36.99 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.8 OUTLIER -46.71 98.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.411 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 3.5 ptt180 -141.63 155.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.2 t -51.42 126.97 18.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.42 34.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -134.81 -46.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.04 -21.69 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.85 61.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -76.99 122.67 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.411 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -65.95 127.44 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.95 -172.51 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.82 -57.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.3 t 176.76 57.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.9 p -116.93 -76.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 167' ' ' LYS . 11.5 m -153.88 74.64 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -98.82 145.58 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.773 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.73 153.71 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.6 p-10 -129.45 97.67 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.32 98.31 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.7 OUTLIER 38.51 69.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.74 -49.51 4.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 37.0 mm-40 -52.47 149.69 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.006 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.4 pt -129.44 130.0 67.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.5 m-85 -139.02 -174.92 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.9 p -100.56 147.99 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 156' ' ' THR . 8.9 tttm -46.0 -42.83 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.44 -30.71 62.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -81.68 -48.04 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.9 t80 -57.18 -32.38 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.84 -61.03 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 9.7 mmtt -47.18 -60.98 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 5.2 m-80 -39.31 -39.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -124.62 61.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 116.57 21.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.2 t -78.62 106.32 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.68 5.24 61.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.7 t -94.29 -66.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.55 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.88 -24.25 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 84.87 28.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -111.2 179.0 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.07 140.03 31.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.982 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.9 t -111.96 158.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -125.39 -63.04 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.52 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -40.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 2.0 pt-20 -138.63 47.0 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 116.66 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 45.5 t -120.78 118.6 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.21 144.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.15 134.42 21.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -38.91 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.68 -56.37 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 t -151.09 171.17 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -137.53 133.16 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -131.76 173.12 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.982 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.5 m80 -64.26 162.22 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 23' ' ' VAL . 14.5 tttm -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 7.79 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 12' ' ' VAL . 51.7 m -112.49 29.16 8.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.9 t80 -133.93 79.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -141.73 134.38 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 44' ' ' LEU . 45.0 t -47.72 114.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.45 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.13 11.76 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 34.6 t -108.12 -69.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -78.46 -25.53 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 85.43 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -98.78 128.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.96 143.69 51.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 37' ' ' CYS . 9.2 mt -125.16 145.85 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -107.59 -66.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.17 95.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.983 HG22 HG23 ' A' ' 48' ' ' THR . 4.2 m -158.01 -62.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.983 HG23 HG22 ' A' ' 47' ' ' THR . 71.1 p -127.31 4.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.946 HG21 ' CE1' ' A' ' 35' ' ' PHE . 2.0 p -59.76 143.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.86 166.07 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.79 140.28 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.8 t-160 -150.61 130.74 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.05 -99.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.73 51.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.3 OUTLIER -165.07 160.85 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -108.16 141.72 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 19.3 m-85 -145.14 126.34 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 31.8 p -55.65 150.83 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.04 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' LYS . 1.1 t -34.03 -67.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' SER . 24.5 m -40.8 -53.12 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.9 t80 -49.71 -55.81 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.95 -16.06 56.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -54.31 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -51.31 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 22.8 m-85 -64.75 -46.58 81.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.33 166.42 30.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.25 168.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.11 154.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -178.6 166.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 86.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.9 17.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -137.43 178.65 6.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.5 99.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.71 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -170.38 160.99 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.94 169.56 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 167.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 107' ' ' ARG . 8.8 ttm105 176.66 165.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.9 ttt -178.56 156.81 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -151.11 -153.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.97 171.97 23.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.3 t -101.89 106.64 48.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.595 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.06 -0.73 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -68.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 17.5 p -79.56 -34.3 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 22.54 13.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -40.61 157.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 45.0 t -133.34 121.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -168.55 143.07 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 62.23 -152.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.49 135.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 78.1 62.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.797 ' CE ' HD11 ' A' ' 132' ' ' ILE . 1.9 ttpp -136.32 134.02 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 138' ' ' TRP . 10.0 p -133.97 144.92 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.797 HD11 ' CE ' ' A' ' 130' ' ' LYS . 4.9 mp -124.54 117.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.54 147.54 17.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 46.46 58.05 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 38.39 40.95 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.63 159.44 43.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.544 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.9 m -115.23 143.55 45.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.022 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.51 179.52 9.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 108.004 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.3 m80 -81.4 131.95 35.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.41 61.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -173.66 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.14 -42.36 76.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.824 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -32.1 102.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.4 146.48 38.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.93 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.1 t -47.99 126.54 10.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.81 34.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -135.32 -46.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.9 -20.87 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.4 71.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -78.98 132.15 36.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 141.81 57.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.93 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -163.64 177.41 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.71 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.523 ' H ' HD23 ' A' ' 157' ' ' LEU . 5.0 t 76.84 -56.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -48.43 105.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 167' ' ' LYS . 71.2 p 42.24 55.54 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.756 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -104.47 119.23 38.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.562 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -83.6 147.62 27.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 8.4 p-10 -129.25 102.77 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.5 OUTLIER -95.35 88.1 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.1 m-20 38.81 71.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.3 -50.05 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.1 mp0 -59.05 155.01 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.824 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.1 pp -132.01 139.56 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -150.17 -176.85 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' CYS . 29.8 p -95.06 141.46 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.68 -39.61 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.79 64.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 166' ' ' CYS . 9.1 m -80.2 -48.79 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.462 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.0 t80 -55.2 -30.73 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.85 -64.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.7 OUTLIER -48.4 -68.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 22.1 t-20 -39.37 -30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -116.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 131.16 44.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.7 t -85.94 109.67 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.97 7.59 54.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' CD1' ' A' ' 30' ' ' PHE . 3.3 t -100.77 -66.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -80.08 -26.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 11.0 tt0 86.7 28.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.68 148.24 44.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.62 143.81 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 9.1 t -122.08 146.86 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -142.28 -47.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -45.85 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 -15.95 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.42 -28.03 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 23' ' ' VAL . 2.6 tm-20 -40.26 143.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' GLU . 74.7 t -131.86 127.95 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -77.29 174.52 10.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -162.82 74.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 35.98 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.49 -45.85 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -85.42 179.35 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.948 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 41.0 t -169.05 126.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -134.83 167.67 20.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.1 m80 -59.01 161.59 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -53.9 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -29.19 66.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.13 -45.03 91.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.4 t80 -67.73 75.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD12 ' CA ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -137.41 133.21 34.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 t -46.39 111.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.61 7.6 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.035 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.9 t -101.57 -67.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 14.4 p -79.77 -24.41 41.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.63 24.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.33 127.56 53.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.55 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p30 -50.0 144.9 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.075 HD13 HG23 ' A' ' 49' ' ' VAL . 28.6 mt -118.53 107.02 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.36 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 89.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.421 ' C ' HG22 ' A' ' 48' ' ' THR . 1.9 m -164.34 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.501 HG23 ' HB3' ' A' ' 59' ' ' LYS . 5.1 t 41.85 50.63 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.075 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -84.88 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.71 164.81 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.94 167.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.42 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.2 t-80 -160.03 102.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.59 -104.07 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.31 42.78 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 6.8 mm-40 -147.82 151.63 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.667 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -116.02 139.47 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.035 ' CD1' HG23 ' A' ' 39' ' ' VAL . 31.7 m-85 -147.85 167.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.872 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.4 p -104.02 143.74 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 60' ' ' SER . 17.8 tptm -38.16 -61.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -29.71 -72.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' HB3' HG11 ' A' ' 39' ' ' VAL . 83.2 m -44.79 -57.01 4.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -40.82 -65.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.67 -18.21 44.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -73.99 -55.65 5.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -68.4 -54.58 16.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -60.99 -39.4 89.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -174.14 148.39 9.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -177.09 137.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 p 178.08 136.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -178.61 157.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -177.9 85.58 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.88 11.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -153.43 122.7 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.1 t30 178.22 99.86 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.17 4.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.73 152.41 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.92 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t -177.38 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.86 132.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 155.85 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.664 ' N ' ' HZ2' ' A' ' 130' ' ' LYS . 9.4 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 137' ' ' SER . 0.6 OUTLIER -161.48 -153.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.94 172.25 21.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.0 t -101.53 107.3 50.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.606 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.0 -1.15 10.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -69.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.404 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 26.8 p -79.59 -34.64 40.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.254 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.48 -29.22 8.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.28 139.86 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 126' ' ' TYR . . . -52.91 167.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.967 HG22 ' CD2' ' A' ' 139' ' ' HIS . 48.5 t -134.49 117.47 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 21.7 m-85 -141.35 -169.4 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -51.82 104.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 166.83 -61.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 47.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.664 ' HZ2' ' N ' ' A' ' 115' ' ' SER . 22.7 tttt -88.06 139.3 30.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.004 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.7 p -133.77 151.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 132' ' ' ILE . 4.9 mp -117.94 116.33 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.39 147.98 18.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.47 52.26 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.84 42.69 6.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.23 170.01 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 3.1 t -116.4 135.43 53.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.004 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -148.9 176.33 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.967 ' CD2' HG22 ' A' ' 125' ' ' VAL . 23.1 m80 -79.21 129.31 34.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.2 OUTLIER -66.37 71.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER 166.62 -46.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 143' ' ' PHE . 76.6 m -59.93 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 108.278 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -29.14 114.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.64 146.77 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.666 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.5 t -71.05 127.2 31.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.31 33.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -134.49 -46.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.24 -20.4 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.12 63.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -62.48 142.73 57.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.6 m -65.11 155.77 33.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -114.21 -174.7 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.2 tm-20 86.21 53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 m -152.14 -53.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.4 p -105.55 -63.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 167' ' ' LYS . 1.0 OUTLIER -176.55 129.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.71 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -95.9 119.87 35.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -87.49 150.86 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.597 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -131.83 106.17 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -100.21 94.09 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.2 m-20 38.55 73.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.82 -49.38 3.82 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.5 mm-40 -56.45 153.91 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 134' ' ' ALA . 12.1 pt -132.79 131.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 51.6 m-85 -141.96 -178.17 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -94.59 147.09 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 156' ' ' THR . 10.3 tttt -46.84 -40.98 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.42 -30.14 64.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.2 m -80.76 -47.13 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.503 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -59.19 -32.79 70.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.26 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.7 mmtm -47.08 -60.9 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 172' ' ' LYS . 12.3 m-20 -39.17 -39.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.3 m-85 -123.8 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.937 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -59.47 133.07 55.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.2 t -90.67 111.74 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.25 11.36 37.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.4 t -106.23 -65.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -82.85 -28.09 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.2 tt0 88.95 27.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -123.95 151.23 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.52 150.37 49.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.058 HG22 ' NE2' ' A' ' 31' ' ' HIS . 16.3 t -126.54 162.59 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.3 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.65 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 37.7 p90 -93.11 96.43 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 166.73 -58.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.5 pt-20 -83.14 -23.97 32.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.32 133.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.9 t -128.08 117.71 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.58 165.63 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -163.98 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 108.286 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER 36.88 81.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.77 -47.12 3.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.3 175.9 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.405 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 60.6 p -167.68 127.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.2 OUTLIER -135.86 173.39 11.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.058 ' NE2' HG22 ' A' ' 17' ' ' VAL . 37.4 m80 -51.72 -176.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.647 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -81.92 -58.66 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.44 -40.23 74.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.812 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.3 t80 -70.09 68.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.84 130.53 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -43.46 113.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.38 8.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.856 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -102.02 -67.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 16.0 p -79.76 -23.47 42.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 82.29 25.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.74 136.23 48.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -45.03 145.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.708 HD21 ' CB ' ' A' ' 58' ' ' CYS . 2.4 mt -114.01 142.68 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -176.16 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.495 ' C ' HG23 ' A' ' 47' ' ' THR . 4.2 m -93.63 92.84 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 46' ' ' SER . 36.6 p -155.91 -65.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 10.0 t -141.5 40.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.812 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.6 p -85.29 145.69 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -128.54 163.8 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.24 161.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -155.34 116.89 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.96 -100.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.82 48.72 2.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -153.19 158.2 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -115.39 138.28 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.856 ' CD1' HG23 ' A' ' 39' ' ' VAL . 21.7 m-85 -143.66 157.81 44.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.708 ' CB ' HD21 ' A' ' 44' ' ' LEU . 16.2 p -96.06 131.52 42.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.34 -57.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.2 m -38.49 -41.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.1 m -70.28 -56.45 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 108.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.919 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-85 -42.26 -48.35 4.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.55 -33.88 60.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -36.96 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -74.38 -57.54 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 20.6 m-85 -58.02 -18.8 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.972 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.53 137.0 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.68 131.38 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 t -176.72 124.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.19 157.31 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -145.58 85.98 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 120.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -76.26 124.6 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -110.27 99.85 41.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.43 39.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 177.58 150.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.39 170.58 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.17 167.31 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.28 157.91 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 ttm -164.37 120.07 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CG ' ' CB ' ' A' ' 137' ' ' SER . 3.9 p-10 -153.26 -163.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.01 171.9 21.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.9 t -98.39 109.25 51.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.427 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 25.1 p -78.07 -32.21 50.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.95 -25.45 22.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 140.54 57.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -56.96 162.07 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -136.14 122.7 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.84 -62.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -161.3 -166.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 74.88 -58.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.3 tp10 -132.51 43.57 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.753 ' HD3' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -96.54 131.64 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.014 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.4 p -129.51 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.753 HD11 ' HD3' ' A' ' 130' ' ' LYS . 4.1 mp -125.79 115.8 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.05 154.54 25.74 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.65 48.47 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 0.803 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.87 21.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 168.37 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 22.9 m -124.04 146.87 48.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.014 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.56 173.99 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 108.002 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -74.51 129.19 37.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -58.01 -16.3 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -81.88 -52.24 7.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.1 m -69.27 -59.29 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.968 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.6 t80 -34.08 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 5.1 ptp180 -141.47 146.1 36.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.2 t -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.93 33.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HZ3' ' CG ' ' A' ' 173' ' ' ASN . 3.3 mttt -134.37 -46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.17 -19.82 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.08 19.38 67.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.86 119.74 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 12.6 p -59.74 134.07 56.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.557 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -103.91 -175.38 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.74 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 174.62 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 155' ' ' THR . 17.6 m -75.78 56.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 13.6 t -132.63 25.4 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.854 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -97.69 171.54 8.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.854 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -138.32 111.79 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 2.6 p30 -90.89 100.04 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.91 97.58 8.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 160' ' ' LYS . 75.0 m-20 39.94 65.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.18 -48.88 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.2 mm-40 -55.37 159.86 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.968 HD13 ' CE1' ' A' ' 143' ' ' PHE . 10.1 pt -136.09 136.96 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 48.8 m-85 -147.94 -174.97 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.4 p -98.95 149.75 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 7.0 ptmt -46.69 -42.75 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -58.45 -29.51 63.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -81.78 -48.13 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.586 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -33.08 68.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.98 -60.08 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.77 -61.07 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 4.7 m-80 -39.02 -38.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 0.9 OUTLIER -124.69 61.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mtpt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 114.48 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.1 t -69.81 107.06 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.91 7.03 60.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 34' ' ' CYS . 2.8 t -96.93 -64.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.3 p -84.34 -24.49 29.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 86.21 28.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.0 143.54 50.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.097 HG22 ' NE2' ' A' ' 31' ' ' HIS . 10.0 t -116.02 149.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -161.83 104.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.682 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.9 m-85 52.68 -171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 83.18 -62.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -137.63 -80.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 50.43 97.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' CD2' ' A' ' 35' ' ' PHE . 43.1 t -100.89 140.79 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 31.6 tt0 -124.68 156.51 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.1 p -164.32 129.7 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 51.28 -100.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.03 40.53 1.66 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -152.1 170.77 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.523 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 4.8 t -159.85 136.61 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.097 ' NE2' HG22 ' A' ' 17' ' ' VAL . 67.5 m80 -62.56 140.07 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.532 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -56.24 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.2 m -52.97 -43.07 66.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG11 ' A' ' 12' ' ' VAL . 86.5 m -61.07 -45.14 95.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 13.4 t80 -67.04 81.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.829 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -128.14 133.02 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.1 t -46.56 111.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 3.64 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.904 HG23 ' CD1' ' A' ' 57' ' ' TYR . 55.0 t -98.15 -73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.1 p -71.9 -22.73 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 81.02 23.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -103.43 135.25 45.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.18 144.44 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.953 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.8 mt -116.85 127.79 54.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -168.41 69.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.25 173.4 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 47' ' ' THR . 10.1 t -92.46 48.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 48' ' ' THR . 3.3 m -159.41 54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.846 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.1 p -118.66 176.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -159.58 165.27 33.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.3 t -120.37 149.27 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 23.8 t-80 -175.69 155.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.76 52.94 7.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 40.63 45.57 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.829 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -114.17 136.42 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.904 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.4 m-85 -142.69 143.42 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.953 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.6 p -74.59 139.2 43.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.546 ' CE ' HG23 ' A' ' 48' ' ' THR . 2.1 ttmt -38.14 -64.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -34.77 -50.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 7.2 m -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.307 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 t80 -45.56 -53.13 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.02 -23.07 76.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -54.88 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -64.82 -48.33 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 5.1 m-85 -60.55 -37.53 81.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.982 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.49 123.38 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -156.78 163.85 38.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -143.93 159.93 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -147.69 168.23 22.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -151.38 94.84 3.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.97 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -113.77 150.03 34.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 14.3 t-20 -128.14 127.86 23.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.2 Cg_endo -75.0 165.28 31.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -111.87 152.41 28.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.93 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -146.86 162.53 38.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -148.27 156.62 42.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 161.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -162.59 -156.37 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.61 170.69 20.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.96 108.58 54.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.0 0.62 8.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -71.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.4 p -75.96 -27.99 57.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -21.86 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.35 141.97 56.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.03 162.79 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 59.4 t -133.43 116.82 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -95.92 177.52 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.12 -66.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.43 134.55 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 74.23 60.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -143.92 141.24 30.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.2 p -133.2 147.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.37 116.87 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.53 142.88 10.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.585 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.78 45.79 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.32 37.46 47.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 157.18 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -115.34 136.83 52.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.975 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.57 173.29 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.6 m80 -70.08 128.46 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.487 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 7.9 tttp -67.31 71.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.9 t 167.28 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.9 p -60.62 -30.52 69.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.778 ' CD1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.21 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.635 ' O ' HD12 ' A' ' 164' ' ' ILE . 8.4 mtt180 -104.05 157.78 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.779 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.8 t -76.6 125.97 30.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.98 33.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.84 -45.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.9 p -110.21 -20.92 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.85 18.13 68.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -80.14 176.76 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 152' ' ' LEU . 70.2 p -95.33 147.9 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -131.75 -175.98 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -153.48 36.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.819 ' HA ' HD23 ' A' ' 157' ' ' LEU . 5.6 t 73.71 -58.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.048 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.2 m -49.7 -57.17 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.0 t -90.09 35.05 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 1.006 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -109.18 140.86 42.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 1.006 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -121.4 115.63 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.585 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -96.03 94.35 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 170' ' ' TYR . 0.0 OUTLIER -130.17 142.28 50.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 47.0 61.92 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.2 34.25 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 6.6 mt-10 -133.79 156.78 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.778 HD13 ' CD1' ' A' ' 143' ' ' PHE . 1.3 pt -115.09 130.67 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 33.7 m-85 -135.48 -176.61 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -98.48 144.75 27.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -45.69 -41.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.13 -31.84 59.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 5.3 m -81.57 -46.85 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.449 ' HB2' ' CB ' ' A' ' 158' ' ' ALA . 4.2 t80 -56.15 -31.12 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.55 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.9 mmmt -47.57 -67.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 1.6 t30 -38.56 -34.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 171' ' ' ALA . 76.2 m-85 -117.35 58.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.8 t -87.65 109.97 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.95 7.55 54.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -100.83 -66.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.6 p -80.95 -26.61 36.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 87.17 28.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 151.55 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 152.8 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.905 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.5 t -126.51 148.66 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.45 -175.76 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.682 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 13.8 p90 -79.51 48.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.65 -56.51 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.72 55.17 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.76 146.16 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 85.9 t -134.41 116.94 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 8.7 tt0 -95.67 145.96 24.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HG ' ' HZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -142.11 137.16 30.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -40.58 105.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -54.89 0.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 m -153.39 169.62 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -121.1 129.2 53.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -127.96 164.86 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.905 ' NE2' HG22 ' A' ' 17' ' ' VAL . 42.6 m80 -54.55 175.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.8 tttt -68.66 -60.11 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -61.75 -33.69 74.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -55.27 -37.48 67.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -68.64 69.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -133.47 133.25 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.5 t -45.05 114.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.42 9.44 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.944 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.1 t -105.33 -68.48 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -78.84 -20.55 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' O ' HD11 ' A' ' 36' ' ' LEU . 9.5 mttt 80.02 21.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 131.48 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -50.15 149.26 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -125.75 146.68 49.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER 155.88 95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.18 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 47' ' ' THR . 4.4 t -165.53 86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER 165.19 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 -179.943 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.954 HG21 ' CE1' ' A' ' 35' ' ' PHE . 4.4 p -49.94 145.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -133.39 165.56 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -118.9 142.4 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 6.5 t60 -153.06 132.93 13.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.93 -104.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -131.71 50.67 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -164.94 160.8 19.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -107.57 141.27 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.944 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -144.44 130.73 19.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.948 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.0 p -66.7 141.29 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 108.267 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CB ' HG23 ' A' ' 48' ' ' THR . 4.2 tttp -38.56 -63.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' LYS . 12.5 t -34.42 -52.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LYS . 12.9 m -58.63 -59.78 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -41.29 -59.04 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.33 -23.5 66.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -72.41 -37.65 68.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -61.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 37.9 m-85 -58.56 -33.67 70.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.23 119.93 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -150.19 157.19 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 p -141.98 170.43 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -164.65 169.17 17.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.633 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -163.5 95.02 1.07 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.06 11.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 t -125.26 149.2 48.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -82.42 114.4 51.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.0 17.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -149.84 150.03 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.71 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -140.25 170.2 16.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.96 163.76 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -170.57 133.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.958 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -156.25 -153.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.03 172.01 23.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.494 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.7 t -100.67 107.92 51.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.99 0.6 8.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -70.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.446 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 16.8 p -77.29 -30.86 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.3 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -109.97 134.58 51.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.44 155.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.862 HG22 ' CD2' ' A' ' 139' ' ' HIS . 69.7 t -134.05 120.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -161.61 -53.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.61 -167.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.34 144.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.58 57.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpp -125.99 96.96 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 6.1 p -97.56 153.97 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -135.28 115.55 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.66 153.79 25.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.48 49.85 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.4 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 3.6 mttt -147.02 169.01 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.61 137.74 51.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -155.15 172.1 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.862 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.9 m80 -77.24 119.34 20.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.545 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.45 ' CE ' ' HG3' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -43.94 -27.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 139' ' ' HIS . 32.8 t -70.33 -51.99 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 144' ' ' ARG . 11.0 m -69.05 -59.69 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.949 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.0 t80 -36.14 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -136.44 143.9 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.525 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.3 t -41.93 127.65 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.257 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.22 33.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -134.44 -46.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.93 -17.25 13.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.84 15.53 81.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -82.42 118.55 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 84.6 p -55.06 137.05 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -99.71 -175.03 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HG3' ' CE ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -179.58 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.1 m -58.39 174.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 155' ' ' THR . 21.0 m -80.06 52.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 68.7 p -128.98 35.12 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.786 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -97.18 166.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.786 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.28 101.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.65 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.4 p-10 -90.29 99.04 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' GLY . 5.3 ttmt -82.38 78.49 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.8 t70 65.74 -69.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -123.62 -30.76 1.03 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.6 mt-10 -76.61 165.18 25.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.949 HD13 ' CE1' ' A' ' 143' ' ' PHE . 7.5 pt -136.8 139.27 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.7 m-85 -150.66 -173.9 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -98.89 144.7 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -40.09 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 172' ' ' LYS . . . -59.16 -28.49 64.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.127 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.0 m -83.09 -48.46 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -32.94 68.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.73 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 168' ' ' GLY . 37.5 mttt -47.24 -62.43 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 57.2 t-20 -39.56 -37.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.2 m-85 -120.51 58.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.57 123.89 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.4 t -81.39 109.84 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.48 7.33 54.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.9 t -100.73 -67.12 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.2 p -79.86 -26.1 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 4.2 tp60 86.61 27.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.98 149.38 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.56 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.095 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.8 t -123.2 146.84 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -99.26 -67.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 178.58 -177.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.37 -66.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -73.37 -38.85 65.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -38.74 136.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' GLU . 68.1 t -133.86 119.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -78.63 130.85 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.522 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 2.0 t -135.55 133.08 38.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -40.27 103.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -55.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -156.74 178.08 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 61.0 m -117.92 140.34 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -137.6 159.53 41.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.095 ' NE2' HG22 ' A' ' 17' ' ' VAL . 61.4 m80 -51.81 171.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -70.78 -59.42 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -58.43 -23.44 57.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -69.45 -55.81 9.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -61.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.733 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -146.18 133.53 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CA ' HD12 ' A' ' 44' ' ' LEU . 48.7 t -47.27 110.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.41 2.78 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 40.2 t -97.37 -74.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -70.83 -21.57 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.22 22.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -101.88 133.96 45.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.8 p-10 -40.91 148.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 58' ' ' CYS . 6.1 mt -127.33 174.45 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.99 173.79 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -75.12 75.07 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 48' ' ' THR . 10.2 t -174.51 123.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 47' ' ' THR . 12.3 t 46.89 35.51 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 3.7 p -111.7 163.19 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.36 165.16 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.625 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.5 t -119.41 174.37 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.625 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -165.33 98.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.57 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.81 -104.12 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.0 40.62 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -148.65 159.79 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.774 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -126.1 134.69 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.6 m-85 -137.48 150.96 47.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.6 p -81.97 141.34 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 48' ' ' THR . 9.5 tttt -38.04 -66.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 59' ' ' LYS . 6.3 p -34.28 -48.57 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.6 m -64.2 -55.98 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 108.316 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.628 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.4 t80 -42.81 -50.24 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.88 -28.29 70.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -65.36 -53.13 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -64.68 -47.78 77.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.0 m-85 -59.13 -31.52 69.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.71 151.11 6.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.41 167.23 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t -157.48 159.04 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -139.83 172.86 12.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.44 95.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.0 m -139.75 133.12 30.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -143.43 145.9 33.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.23 4.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -173.5 163.05 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.35 132.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -159.34 170.34 22.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 139.41 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.61 149.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.975 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.58 -154.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.46 171.89 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.8 t -100.21 108.62 53.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.522 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -71.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.8 p -77.47 -31.91 54.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.252 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.32 -23.83 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.35 143.26 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.98 162.28 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 139' ' ' HIS . 74.6 t -134.56 123.04 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 t80 -175.84 122.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.59 110.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.45 136.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.35 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.29 123.43 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.0 149.21 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 47.3 mm -125.78 115.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.55 145.64 14.51 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.09 55.18 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.17 37.6 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -143.19 170.58 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 35.3 p -125.99 148.27 49.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.035 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.38 171.75 17.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.884 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.0 m80 -70.23 119.31 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.1 OUTLIER -64.76 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.6 OUTLIER 155.9 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -89.96 -25.09 21.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 97.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.4 ttt180 -102.5 146.26 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.89 ' HB2' HD21 ' A' ' 152' ' ' LEU . 35.7 t -75.07 127.83 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.17 35.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.2 OUTLIER -135.9 -46.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.2 p -109.79 -18.46 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.64 81.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' SER . 6.9 tptt -88.09 144.31 26.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 54.5 p -72.93 137.63 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -105.13 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 174.93 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -54.04 164.26 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 155' ' ' THR . 19.8 m -78.32 57.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -147.33 50.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -102.22 123.28 45.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -85.75 150.18 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.0 OUTLIER -136.05 101.92 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 82.63 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.87 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -117.37 -26.45 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.0 mp0 -77.59 158.05 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.855 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.6 pt -130.41 138.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.0 m-85 -147.2 -175.29 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.44 145.64 25.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -40.27 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.96 -30.02 65.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.9 m -80.63 -47.3 14.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -59.25 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.35 -63.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.48 -61.78 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 172' ' ' LYS . 25.4 m-20 -39.03 -38.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -123.21 58.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -128.4 116.85 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.2 t -65.49 106.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.55 61.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.7 t -94.44 -67.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.63 -22.89 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 84.23 27.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.75 43.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 134.52 46.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.044 HG22 ' NE2' ' A' ' 31' ' ' HIS . 2.7 t -110.27 145.65 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -165.45 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -108.58 -27.82 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -63.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 1.6 tt0 64.2 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.519 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 38.2 t -125.41 117.77 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.45 152.67 23.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 49' ' ' VAL . 1.1 m -146.14 162.62 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' CYS . 7.0 mm-40 -36.86 -48.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.27 47.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -156.21 167.12 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.472 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 3.0 m -177.43 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -142.87 173.83 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.044 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.3 m80 -57.52 166.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 ttmt -68.33 -48.21 65.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -40.46 95.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB3' HG11 ' A' ' 12' ' ' VAL . 96.3 m -59.7 -46.44 89.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.718 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -71.55 95.33 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.88 136.22 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 48.1 t -51.95 114.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.364 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.9 tpt -78.31 10.04 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.1 t -106.35 -70.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -77.02 -21.4 54.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 80.79 21.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 128.87 46.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -53.05 151.99 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.884 HD21 ' CB ' ' A' ' 58' ' ' CYS . 12.4 mt -120.96 155.15 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 44.4 m-20 -174.23 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -49.16 175.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 48' ' ' THR . 67.8 p -97.06 72.29 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 7.0 t -175.68 43.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.791 ' CG2' HD13 ' A' ' 44' ' ' LEU . 5.8 p -107.05 169.84 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -148.02 163.8 35.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.78 159.18 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 10.8 t60 -145.42 145.08 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.18 71.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.565 1.166 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 165.55 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -176.1 -178.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -104.32 142.12 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.797 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.4 m-85 -135.99 157.37 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.884 ' CB ' HD21 ' A' ' 44' ' ' LEU . 17.4 p -87.89 153.5 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -38.5 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 59' ' ' LYS . 63.0 m -31.8 -69.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 35.9 m -41.65 -56.94 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 66' ' ' TYR . 5.1 t80 -45.8 -52.77 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -17.84 65.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -77.56 -54.3 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -46.38 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 62' ' ' TYR . 8.5 m-85 -67.92 -49.21 63.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.941 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.18 178.7 41.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -178.66 146.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.19 166.88 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.45 164.47 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.599 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.92 148.86 7.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.44 8.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.9 t -171.72 155.75 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 177.4 99.85 0.12 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -158.33 164.88 35.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.65 175.02 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.3 p -177.82 169.11 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.37 168.7 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -177.46 165.73 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 125' ' ' VAL . 4.3 m-20 -179.42 167.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -92.07 169.9 32.58 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.6 t -99.85 108.58 52.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.1 Cg_endo -75.05 0.7 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -70.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 19.5 p -78.02 -33.99 50.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 108.329 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.05 -22.0 28.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.01 143.2 55.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.512 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.49 156.03 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 130' ' ' LYS . 58.5 t -129.92 116.15 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -166.74 -47.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.72 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.92 163.52 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 68.3 53.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.581 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -108.89 134.37 51.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.997 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -127.13 150.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.3 mm -127.42 116.18 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.55 9.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.699 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.01 62.62 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.13 33.9 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -136.0 167.47 21.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 44.5 t -128.45 150.24 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.997 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.67 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CD2' HG22 ' A' ' 125' ' ' VAL . 44.7 m80 -70.27 125.75 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 141' ' ' SER . 2.2 ttpm? -65.7 75.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER 159.33 -44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -68.79 -23.12 64.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.049 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.48 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.27 135.78 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.939 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.6 t -58.15 126.67 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.15 34.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.35 -45.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.21 -17.56 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 74.96 14.74 81.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 137.67 32.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 134.29 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -98.87 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -174.31 128.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 69.79 175.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -60.58 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 14.3 t -158.7 25.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -103.02 158.87 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.47 115.64 19.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 8.0 p-10 -95.64 87.44 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' HD2' ' CZ ' ' A' ' 174' ' ' PHE . 0.0 OUTLIER -122.08 140.52 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 47.41 62.71 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.01 35.35 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 14.0 mt-10 -136.23 152.73 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.049 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.7 pt -110.94 136.84 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 26.3 m-85 -141.52 -178.89 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 31.7 p -93.9 146.68 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -47.01 -40.6 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.42 -29.92 67.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 3.3 m -80.52 -47.42 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.707 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -59.3 -33.52 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.6 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.9 mttp -47.41 -60.94 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 95.8 m-20 -39.38 -38.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.0 OUTLIER -123.49 59.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -68.99 116.84 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -78.95 106.52 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 4.73 61.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -94.02 -67.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.599 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 7.1 tt0 85.89 28.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -120.59 155.83 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.2 137.15 38.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.932 HG22 ' NE2' ' A' ' 31' ' ' HIS . 59.3 t -104.11 141.9 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -122.62 141.9 51.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -37.64 103.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.45 -53.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -148.85 52.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.0 127.63 35.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' HD2' ' A' ' 35' ' ' PHE . 39.4 t -110.79 117.94 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.6 156.26 18.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.47 74.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 64.88 -81.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -27.61 3.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 8.1 p -89.0 172.79 8.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.948 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -166.35 130.85 2.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 56' ' ' ILE . 1.9 m-85 -139.13 169.38 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.932 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.9 m80 -62.55 164.03 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 18.8 mttt -62.38 -48.85 77.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.9 p -89.73 40.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.2 m -126.42 -53.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -38.26 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.659 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -150.05 133.1 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.6 t -45.08 114.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 12.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 57' ' ' TYR . 21.4 t -110.35 -71.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.9 p -75.53 -23.38 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 81.82 22.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 132.03 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.447 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p-10 -55.28 147.52 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.999 HD13 HG23 ' A' ' 49' ' ' VAL . 88.8 mt -128.22 133.45 48.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.67 96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.1 t 178.96 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 47' ' ' THR . 1.2 m -169.59 64.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 47' ' ' THR . 1.6 t -179.03 44.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.999 HG23 HD13 ' A' ' 44' ' ' LEU . 1.9 p -115.35 159.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -148.59 165.98 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.57 164.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -159.83 131.53 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.63 -113.25 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.17 49.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.43 170.28 20.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.678 HG21 ' CE2' ' A' ' 30' ' ' PHE . 1.6 pt -117.81 144.38 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.655 ' CE1' ' CB ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -141.99 151.2 42.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.5 p -81.99 145.78 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.67 -65.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.0 -49.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' LYS . 18.4 m -63.64 -58.13 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.451 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -40.23 -53.06 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.1 72.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -64.53 -48.95 73.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -64.97 -52.04 58.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 10.8 m-85 -58.47 -27.65 64.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.07 125.02 2.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.28 123.73 26.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -105.86 149.34 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.99 -62.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -179.19 148.81 0.55 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 102' ' ' ASN . 4.3 t -120.47 -49.05 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 101' ' ' THR . 61.7 t-20 178.53 99.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 92.86 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.806 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.13 167.46 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.33 105.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.0 p -176.96 105.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.68 144.5 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.4 ptp -176.84 143.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.09 -153.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -131.52 173.1 20.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.523 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.1 t -100.05 107.85 49.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.586 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -91.39 -69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -80.15 -36.14 35.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.98 -27.29 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 141.78 56.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -54.39 165.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.948 HG22 ' CD2' ' A' ' 139' ' ' HIS . 53.2 t -135.9 117.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.4 t80 178.43 -50.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.26 78.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 58.92 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 67.03 51.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -115.24 133.19 56.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.52 146.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -124.07 116.4 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.59 147.7 18.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.604 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.11 62.89 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 134' ' ' ALA . . . 36.84 36.54 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.44 169.45 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.559 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 8.4 m -126.64 145.78 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.002 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.08 -178.7 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.948 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.2 m80 -82.01 133.81 35.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.411 ' CG ' ' HB2' ' A' ' 154' ' ' SER . 0.0 OUTLIER -68.73 63.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -179.17 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.3 m -61.22 -42.32 98.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -30.34 100.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 159.49 22.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 152' ' ' LEU . 40.4 t -77.09 127.97 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.91 -46.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.9 p -110.93 -16.66 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.45 -7.34 61.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -54.47 131.4 42.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.2 p -74.46 125.1 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -94.59 -174.1 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.71 64.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 140' ' ' LYS . 4.5 t 60.75 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 156' ' ' THR . 41.0 m 63.01 165.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 155' ' ' THR . 13.6 t 47.28 24.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -108.55 125.59 51.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.706 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -90.73 143.71 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.604 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.0 OUTLIER -131.47 99.18 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.5 OUTLIER -87.86 94.04 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 60.64 -82.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -117.75 -31.05 1.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.2 mp0 -72.54 155.72 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.786 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.9 pt -128.78 138.54 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 31.8 m-85 -145.16 -175.15 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.3 p -96.77 143.87 27.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -47.31 -39.03 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.32 -29.92 66.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -81.19 -47.72 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.6 -33.61 70.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.63 -64.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 22.4 mtmt -47.25 -63.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.43 ' OD1' ' CE1' ' A' ' 174' ' ' PHE . 37.5 t-20 -38.69 -37.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.4 m-85 -120.25 59.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.998 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' OE2' ' A' ' 22' ' ' GLU . 4.9 tttm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 117.34 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t -78.63 107.87 11.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.14 61.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 13' ' ' CYS . 2.1 t -95.49 -68.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.521 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.1 p -78.2 -24.69 47.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 9.5 tm0? 84.98 27.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -118.4 145.88 44.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 137.07 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.99 HG22 ' NE2' ' A' ' 31' ' ' HIS . 7.4 t -94.33 143.66 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 18' ' ' TYR . 61.7 t80 -92.39 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.4 t80 37.63 89.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 175.8 -63.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.5 tt0 -82.75 -28.03 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' HB2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.87 133.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.6 t -127.89 117.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' SER . 18.5 pt20 -104.42 153.58 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -166.31 101.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' CYS . 8.1 tt0 38.29 74.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.97 -46.06 3.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 25.2 p -52.01 148.17 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.43 84.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 28' ' ' SER . 0.5 OUTLIER -128.66 161.58 29.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.99 ' NE2' HG22 ' A' ' 17' ' ' VAL . 60.1 m80 -58.3 156.45 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 tptt -50.57 -57.0 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.8 t -60.19 -42.09 94.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -56.8 -38.65 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.888 ' CE1' HG21 ' A' ' 49' ' ' VAL . 5.7 t80 -71.8 74.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -138.0 132.39 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.1 t -41.82 115.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.444 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 3.5 mmt -78.1 14.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -112.55 -71.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.3 p -75.54 -23.56 56.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.0 tttp 80.47 23.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.44 133.42 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 36' ' ' LEU . 36.0 t30 -49.84 144.76 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 13.0 mt -122.52 149.0 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER 162.85 147.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 109.356 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.73 67.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m 50.39 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.3 m 84.27 -44.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 p -64.98 146.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -126.04 166.03 17.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -116.17 143.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -152.35 130.32 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.35 -111.59 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.3 51.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 0.809 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -167.17 166.0 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.621 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -111.92 148.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.621 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 3.0 m-85 -146.84 126.55 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.3 p -59.19 148.35 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 60' ' ' SER . 3.8 ttpt -38.0 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -31.82 -69.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.2 m -42.1 -58.19 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -43.92 -50.84 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.8 -23.21 72.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.4 tttp -74.89 -48.08 26.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.786 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -62.34 -44.97 95.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 10.7 m-85 -68.22 -47.44 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.61 165.8 28.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 171.02 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 170.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 174.33 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 148.87 6.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.35 6.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -140.11 163.52 32.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -138.41 132.67 16.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -179.89 148.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.38 175.89 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.8 p -178.0 170.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.37 153.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.38 167.9 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -157.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.35 171.32 20.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 45.1 t -97.41 109.48 50.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -6.58 18.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -66.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.433 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.1 p -80.55 -41.72 23.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.275 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.9 -25.16 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -56.15 -173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.5 160.07 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.917 HG22 ' CD2' ' A' ' 139' ' ' HIS . 93.1 t -134.19 123.37 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.82 -67.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.638 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -152.9 178.85 9.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 80.03 -54.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -131.5 43.37 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.617 ' HG3' HG12 ' A' ' 125' ' ' VAL . 8.7 tttm -101.83 123.51 45.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.8 p -123.58 149.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.4 mp -129.95 115.41 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.83 150.78 22.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.648 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.61 47.41 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.87 37.53 28.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -145.46 173.31 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.606 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 5.9 p -128.43 149.59 50.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.04 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.15 175.25 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.917 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.9 m80 -73.96 129.0 36.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -58.34 -15.8 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 -51.94 5.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 7.2 m -68.4 -59.19 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' A' ' 164' ' ' ILE . 4.6 t80 -34.36 100.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -143.46 158.35 43.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.624 ' HB2' HD21 ' A' ' 152' ' ' LEU . 41.8 t -50.73 125.8 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.28 32.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -133.45 -46.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -111.11 -27.5 8.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 108.289 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.19 17.36 50.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -81.37 115.88 20.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 1.1 t -48.09 149.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -156.33 174.73 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -159.37 -43.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 153' ' ' GLU . 0.3 OUTLIER -174.45 -177.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 156' ' ' THR . 8.8 t 40.33 42.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 167.22 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.435 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 1.043 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -66.79 155.43 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 1.043 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -134.83 104.99 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.648 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.7 p30 -88.53 102.35 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 79.11 9.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.71 -76.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -125.82 -2.12 7.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.4 mm-40 -101.78 168.05 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.836 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.0 pt -137.03 137.05 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 50.6 m-85 -150.07 -174.16 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.1 p -100.8 151.48 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -41.62 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.02 -30.21 66.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -82.48 -47.91 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.577 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.4 t80 -57.8 -32.68 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.38 -60.69 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 173' ' ' ASN . 12.3 mtmt -47.61 -61.19 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.7 m-20 -39.57 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.8 m-85 -122.79 61.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' NZ ' ' H ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -129.41 117.49 20.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.8 t -81.97 106.22 13.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.45 5.19 61.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -94.7 -67.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.46 -23.44 37.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 84.34 28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.7 151.33 37.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.11 140.92 49.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.962 HG22 ' NE2' ' A' ' 31' ' ' HIS . 39.6 t -104.67 157.36 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -91.31 -79.52 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 177.14 167.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.17 -68.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.57 -28.46 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 17' ' ' VAL . 89.1 mt-10 -38.85 136.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 35' ' ' PHE . 72.1 t -122.47 117.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.18 162.34 25.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 111.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.43 54.96 3.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -175.35 161.25 2.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 77.7 p -167.16 123.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -135.5 175.72 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.962 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -61.23 177.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -80.12 -52.82 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -66.63 -36.18 81.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -56.53 -40.16 74.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 23' ' ' VAL . 6.4 t80 -62.03 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -139.04 132.52 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.747 ' HB2' HD11 ' A' ' 44' ' ' LEU . 42.3 t -46.55 115.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.73 12.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.922 HG23 ' CD1' ' A' ' 57' ' ' TYR . 22.0 t -110.11 -70.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -77.12 -25.57 52.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.84 24.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.96 129.66 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -62.24 145.96 52.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 37' ' ' CYS . 4.4 mt -129.36 145.22 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.53 81.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.1 p 57.85 112.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 177.64 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.595 ' H ' HG23 ' A' ' 47' ' ' THR . 10.1 t -175.0 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.679 HG11 ' HE2' ' A' ' 35' ' ' PHE . 3.4 p -78.29 159.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -132.68 165.13 25.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.48 142.75 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.554 ' CD2' ' HH ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -149.92 119.94 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 -94.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -141.57 43.09 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 0.814 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 11.3 mt-10 -152.09 159.06 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -108.78 140.02 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.922 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.2 m-85 -145.2 127.0 15.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 p -56.91 150.59 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' SER . 7.8 tmtt? -37.15 -68.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' LYS . 24.5 m -33.02 -69.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' LYS . 60.3 m -43.25 -55.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.296 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.622 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.04 -55.53 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.6 -17.64 67.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -75.65 -52.72 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -46.37 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.554 ' HH ' ' CD2' ' A' ' 52' ' ' HIS . 18.2 m-85 -66.67 -48.72 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.04 156.3 13.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.65 158.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.797 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 t 177.86 155.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 157.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -165.72 120.22 0.93 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.35 4.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 m -132.47 149.42 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -101.34 132.72 21.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.39 4.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -127.3 162.71 25.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.38 170.89 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 169.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.06 145.48 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.7 ptm -119.55 162.6 18.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.02 -153.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.89 172.3 23.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.5 t -100.29 108.11 50.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -93.65 -70.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.1 p -77.89 -33.18 52.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.01 21.62 20.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.86 133.18 53.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.769 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -43.32 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.872 HG22 ' CD2' ' A' ' 139' ' ' HIS . 79.7 t -134.06 119.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 41.0 p90 -178.05 171.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 71.93 -78.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.94 48.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 66.83 51.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -125.12 90.24 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -81.96 149.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.3 116.68 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.85 153.45 25.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.51 52.71 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.89 42.14 6.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -149.51 165.69 31.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.6 m -123.83 139.69 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.99 174.23 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.872 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -75.87 127.6 33.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -56.42 -18.06 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -52.2 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.98 -59.74 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.935 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -32.28 103.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.69 143.67 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 t -41.91 126.66 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.89 33.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.423 ' HD2' ' CD1' ' A' ' 165' ' ' TYR . 6.7 mttt -133.76 -46.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.6 -25.56 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.37 20.97 46.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.04 115.91 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.8 p -60.43 141.98 55.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -174.51 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 140' ' ' LYS . 4.2 pt-20 -164.48 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 155' ' ' THR . 60.0 p -134.77 137.65 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 154' ' ' SER . 77.0 p 44.36 -168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 157' ' ' LEU . 25.8 m 70.54 -55.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.934 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -46.93 172.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.934 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -146.87 120.56 9.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -92.86 101.68 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 99.61 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.9 t0 43.1 57.15 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.73 -46.69 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 19.0 mm-40 -53.13 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.935 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.5 pt -133.75 131.7 56.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.9 m-85 -143.76 -171.84 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.5 p -102.71 142.34 34.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 -42.81 5.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.93 -33.02 59.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.85 -47.42 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.06 -31.5 65.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.07 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 27.9 mttt -45.78 -59.03 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 11.8 m120 -38.45 -43.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 2.1 m-85 -132.06 62.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -123.22 114.42 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.6 t -80.38 105.91 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.99 5.66 61.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.79 -65.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.559 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.4 p -83.94 -22.86 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 83.67 29.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.94 158.0 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 135.86 37.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.817 HG22 ' NE2' ' A' ' 31' ' ' HIS . 60.7 t -98.42 155.42 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -141.06 153.83 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 28.3 t80 -53.56 98.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 180.0 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -146.92 51.29 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.669 ' HG3' HG11 ' A' ' 17' ' ' VAL . 4.4 tt0 -92.31 134.18 35.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.704 HG11 ' HD2' ' A' ' 35' ' ' PHE . 52.9 t -120.08 117.82 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.89 156.99 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -140.52 141.7 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.27 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' CYS . 2.6 mm-40 -36.84 -52.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.5 48.29 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 176.53 -177.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 94.2 p -172.7 129.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.808 ' CD1' HG23 ' A' ' 12' ' ' VAL . 3.8 m-85 -145.36 175.59 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 17' ' ' VAL . 77.8 m80 -69.01 171.49 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.6 tmtt? -69.73 -42.68 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -90.65 37.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -127.85 -47.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.255 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.747 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -52.1 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 ' C ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -152.16 129.69 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.3 t -48.95 111.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.2 9.3 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.863 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.3 t -105.93 -73.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -73.4 -25.07 60.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 84.3 24.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.25 128.91 44.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 36' ' ' LEU . 7.1 m120 -60.89 144.31 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.99 HD13 HG23 ' A' ' 49' ' ' VAL . 17.3 mt -125.32 139.81 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.6 83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.46 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 169.35 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 46' ' ' SER . 35.0 p -153.96 -171.02 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 47' ' ' THR . 1.7 p 54.97 27.32 9.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.99 HG23 HD13 ' A' ' 44' ' ' LEU . 5.4 p -106.38 152.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.687 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -136.37 165.74 25.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.11 174.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.619 ' H ' HG12 ' A' ' 51' ' ' VAL . 37.7 t-80 -169.5 95.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.42 -125.0 24.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -91.8 35.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -148.53 154.97 40.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.809 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -118.51 144.33 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.7 m-85 -143.4 148.85 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.48 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.5 p -84.58 156.05 21.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -39.18 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 59' ' ' LYS . 19.0 t -32.17 -69.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 40.1 m -41.88 -58.43 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.687 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.67 -55.03 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.21 -20.08 62.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -78.86 -47.2 17.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -52.77 46.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -67.64 -48.42 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.47 126.49 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -177.32 131.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.0 p -175.97 121.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -177.29 150.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -156.33 137.64 9.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.54 36.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.9 t -172.54 122.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.76 141.18 1.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -166.03 149.09 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.14 153.2 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 170.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -155.52 145.47 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.06 168.84 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.511 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 1.6 m-20 -150.75 -154.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.66 172.07 23.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -100.49 108.01 51.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.482 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.06 -0.08 9.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.447 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.5 p -77.94 -33.48 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.6 21.99 17.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.54 135.37 50.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -45.24 155.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 139' ' ' HIS . 70.9 t -134.63 127.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -171.58 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -75.82 -166.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.46 152.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.44 55.25 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -124.73 124.43 42.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.963 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -129.58 146.38 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.7 mp -126.42 116.53 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.54 145.28 15.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.767 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.73 57.73 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.71 31.95 2.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -133.4 170.67 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.511 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -134.58 140.03 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.963 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.42 173.69 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.848 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.3 m80 -78.46 116.73 19.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -43.6 -26.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 139' ' ' HIS . 23.7 p -68.59 -55.6 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -67.74 -56.21 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.065 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.1 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.6 ptm180 -135.4 152.29 51.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.538 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.5 t -46.27 126.94 8.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.68 33.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -46.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.5 p -110.22 -22.28 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.08 19.01 63.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 116.36 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 52.1 p -44.71 139.34 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.628 ' CD1' HD12 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -103.86 -173.7 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.7 p 46.91 -168.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -75.25 63.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.0 m -133.0 8.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.699 HD12 ' H ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -103.1 -175.1 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.699 ' H ' HD12 ' A' ' 157' ' ' LEU . . . -142.15 108.17 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.767 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -96.99 92.97 6.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -128.66 140.85 51.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 163' ' ' GLU . 17.4 m-20 47.84 64.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.48 28.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -127.17 152.88 46.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.065 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.3 pt -117.71 138.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 50.5 m-85 -143.98 -175.91 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 31.5 p -98.61 144.8 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.17 -39.79 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.17 67.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -81.99 -48.16 11.79 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.584 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.69 -33.35 70.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.97 -62.86 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 173' ' ' ASN . 46.4 mttm -47.47 -61.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 172' ' ' LYS . 4.2 m-20 -39.59 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -121.97 59.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -129.92 115.0 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -70.27 106.76 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.339 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.71 5.39 61.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.69 -66.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.557 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.6 p -82.63 -23.38 34.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.6 tt0 85.02 28.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -117.09 147.49 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.34 148.71 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.027 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.6 t -125.6 163.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.76 177.69 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.4 t80 -96.01 64.57 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 177.96 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -40.53 93.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HA ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.9 129.25 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.761 HG11 ' CD2' ' A' ' 35' ' ' PHE . 54.8 t -100.69 117.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 119.84 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -128.55 147.39 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -47.82 -60.79 2.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.34 -27.48 24.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 161.16 -173.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -110.33 133.78 52.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.7 m-85 -137.35 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.027 ' NE2' HG22 ' A' ' 17' ' ' VAL . 53.1 m80 -62.68 175.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' SER . 1.6 pttt -74.2 -47.67 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 4.3 t -72.36 -35.02 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 m -57.07 -40.53 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.778 ' HE1' HG21 ' A' ' 49' ' ' VAL . 5.6 t80 -67.26 78.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -138.67 136.84 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.538 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.4 t -50.15 114.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.55 10.83 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.967 HG23 ' CD1' ' A' ' 57' ' ' TYR . 39.9 t -106.5 -68.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.8 p -78.55 -25.42 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.1 tttp 85.85 23.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 128.09 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.419 ' CG ' HD12 ' A' ' 36' ' ' LEU . 3.0 m120 -57.58 144.59 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.862 HD13 HG23 ' A' ' 49' ' ' VAL . 11.5 mt -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.26 -64.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.79 79.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -158.88 86.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.886 HG22 ' HB2' ' A' ' 59' ' ' LYS . 20.9 m 53.19 62.65 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.862 HG23 HD13 ' A' ' 44' ' ' LEU . 9.9 p -103.42 150.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.69 165.56 21.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.528 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.64 165.61 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 38.2 t60 -166.11 108.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.36 -105.77 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -119.27 45.06 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.34 158.12 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -116.27 144.26 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.967 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.5 m-85 -143.93 132.13 21.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.742 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.3 p -68.95 136.7 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.886 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.6 OUTLIER -39.85 -60.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.22 -48.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 m -62.85 -54.89 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -45.05 -51.53 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.38 -24.61 76.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -71.84 -36.79 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -81.86 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 38.5 m-85 -57.65 -30.3 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.64 160.88 25.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -178.43 147.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 170.02 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -147.66 173.06 13.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -151.46 94.88 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.22 7.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 111.06 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.4 m -149.73 154.37 38.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -155.5 132.69 6.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.2 7.58 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -153.94 165.67 35.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -156.95 174.91 14.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -172.0 168.88 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -165.91 166.66 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.43 167.72 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.951 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.2 OUTLIER -176.82 177.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -100.22 171.63 23.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.7 t -98.28 108.83 49.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.97 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -91.92 -69.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.462 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 15.0 p -79.25 -37.19 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.6 9.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -111.67 138.42 48.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -50.72 153.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.829 HG22 ' NE2' ' A' ' 139' ' ' HIS . 92.3 t -134.61 116.18 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -127.26 -161.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -42.48 136.58 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 66.67 133.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 60.96 43.02 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.6 OUTLIER -132.82 98.3 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.0 p -89.2 152.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 90.0 mt -131.94 115.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.51 153.83 25.38 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.9 45.58 18.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 50.25 42.41 41.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 13.5 mttt -148.37 166.8 27.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 137.62 54.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.55 173.65 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.829 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.7 130.42 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -60.44 -14.52 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -50.71 8.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.78 -59.36 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.135 ' CE1' HD13 ' A' ' 164' ' ' ILE . 3.2 t80 -32.56 105.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 11.3 ptt-85 -150.58 145.53 25.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.2 t -42.6 127.16 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.55 34.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 0.1 OUTLIER -135.05 -46.53 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.9 p -110.14 -21.63 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.43 19.36 62.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 117.54 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 11.8 p -57.46 141.1 48.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.881 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -114.28 -174.98 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 154' ' ' SER . 2.6 tm-20 -172.81 56.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 153' ' ' GLU . 0.4 OUTLIER 38.97 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 m -157.26 -60.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.9 t -139.6 48.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.881 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -101.35 175.14 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.808 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -135.21 152.57 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 6.7 p30 -127.27 105.08 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -101.45 95.46 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 39.41 64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.82 -50.46 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.5 mp0 -52.98 156.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.135 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.6 pt -133.94 132.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 55.8 m-85 -143.1 -174.45 4.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.9 p -97.76 151.99 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -46.54 -44.0 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.09 -29.37 62.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.1 m -80.81 -47.38 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.582 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -59.06 -33.29 70.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.25 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.0 mtpt -47.8 -60.71 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.413 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 63.3 t-20 -39.99 -38.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -122.81 58.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.64 113.36 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.2 t -71.84 107.47 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.57 5.73 60.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.2 t -96.62 -66.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.92 -22.88 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER 83.77 27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.4 144.94 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 140.96 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.033 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.0 t -109.41 140.68 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.09 145.78 45.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -37.26 102.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.84 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.9 pt-20 -134.69 -57.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 27.37 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 35' ' ' PHE . 55.2 t -85.44 118.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -71.98 164.6 25.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -161.61 76.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' CYS . 5.0 tt0 37.32 78.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.92 -47.17 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.39 175.34 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -164.85 110.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -116.9 162.69 17.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.033 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.5 m80 -60.16 158.62 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.556 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HA ' HG21 ' A' ' 23' ' ' VAL . 6.0 tttt -52.16 -39.26 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.66 31.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 12' ' ' VAL . 53.4 m -132.21 23.85 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -122.35 71.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.4 tt -138.3 135.58 35.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.1 t -47.91 113.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 9.36 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.93 HG23 ' CD1' ' A' ' 57' ' ' TYR . 43.3 t -104.36 -68.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.2 p -78.76 -25.11 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER 85.8 23.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.28 127.18 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.544 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.6 p30 -54.07 148.05 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 49' ' ' VAL . 23.4 mt -122.99 141.62 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -139.9 -58.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.466 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -153.27 72.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 HG23 ' C ' ' A' ' 46' ' ' SER . 68.4 p -153.31 76.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' A' ' 59' ' ' LYS . 5.8 t 40.35 51.68 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 35' ' ' PHE . 3.3 p -78.12 144.99 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -126.14 166.09 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.41 158.09 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 14.2 t-160 -162.81 114.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.18 -109.24 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 50.31 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.22 160.95 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.614 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.39 145.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.93 ' CD1' HG23 ' A' ' 39' ' ' VAL . 23.1 m-85 -145.29 131.29 19.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.651 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.1 p -69.25 140.93 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.37 -67.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -31.37 -56.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.81 -58.95 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -44.37 -59.82 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -21.56 55.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -40.21 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -73.75 -57.11 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -65.47 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.967 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.21 153.94 11.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -174.09 144.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.1 t -169.79 158.53 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.93 172.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.04 148.81 30.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -142.41 157.95 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.97 130.74 20.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -157.94 125.39 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.86 169.88 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 167.26 30.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.72 125.86 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 tpp -159.84 121.39 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.8 -153.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.44 172.15 23.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -99.83 108.24 50.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -93.96 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.4 p -77.68 -32.68 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.34 21.67 21.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.78 134.1 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.413 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -44.57 155.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.846 HG22 ' CD2' ' A' ' 139' ' ' HIS . 68.9 t -134.34 124.26 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 8.7 t80 -170.58 136.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.2 -154.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.39 138.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.06 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -145.49 134.5 22.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -132.28 147.92 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.85 116.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.62 157.57 27.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.88 48.82 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 45.27 45.1 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.93 158.8 38.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.3 OUTLIER -115.02 140.88 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.78 174.33 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 108.027 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.846 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -76.72 128.57 34.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.465 ' CE ' ' HG2' ' A' ' 153' ' ' GLU . 10.2 ttpt -56.87 -17.62 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.92 -51.9 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.8 m -70.98 -59.01 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 108.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.755 ' HE2' HD22 ' A' ' 157' ' ' LEU . 2.0 t80 -32.79 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.542 ' C ' HD11 ' A' ' 152' ' ' LEU . 2.1 ptt180 -143.73 166.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.9 t -64.27 126.94 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.32 33.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -133.78 -46.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.7 p -110.23 -23.6 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.85 58.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -86.52 118.8 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 89.2 p -52.4 145.9 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.542 HD11 ' C ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -118.49 -174.31 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 140' ' ' LYS . 2.4 mt-10 -156.54 -66.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 166.64 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 155' ' ' THR . 53.7 m 38.99 48.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.3 m -169.07 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.755 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -62.31 169.69 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -143.27 115.7 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 6.0 p-10 -90.59 104.11 16.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 95.31 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 43.89 59.21 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.53 -45.65 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 47.2 mm-40 -56.09 163.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 143' ' ' PHE . 13.6 pt -136.99 135.49 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.3 m-85 -148.59 -174.02 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.0 p -100.58 147.8 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -43.81 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.47 -32.07 60.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.6 m -80.63 -47.95 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.408 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -56.65 -31.99 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' A' ' 175' ' ' GLY . . . -81.0 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 6.3 mtpm? -45.83 -60.15 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.633 ' HB3' ' CD2' ' A' ' 174' ' ' PHE . 6.7 m120 -38.27 -42.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.633 ' CD2' ' HB3' ' A' ' 173' ' ' ASN . 3.6 p90 -179.04 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 174' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 3.6 mttt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -123.3 126.75 47.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.0 t -83.79 108.64 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.84 4.62 60.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.88 -68.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.533 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -78.06 -24.86 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.28 27.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 146.16 47.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 138.69 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.3 t -104.27 141.08 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.69 169.63 8.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.51 91.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 -60.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -113.9 -74.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HA ' HG11 ' A' ' 17' ' ' VAL . 7.9 tp10 39.43 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.9 t -91.99 117.58 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.05 155.81 40.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HG ' ' HE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -137.71 141.18 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -36.29 -53.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.82 47.14 1.03 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 171.78 -164.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.422 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 m -170.53 131.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -140.12 173.89 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 52.4 m80 -66.25 174.62 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.8 tttm -67.73 -61.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 p -60.11 -34.85 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.2 m -56.21 -38.85 71.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -63.72 79.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.2 132.43 23.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.5 t -45.02 115.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.74 15.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 37' ' ' CYS . 18.1 t -113.62 -71.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -75.82 -23.12 55.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.81 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.5 ttmt 81.42 23.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -95.13 130.02 42.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.3 m120 -63.53 146.37 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 56' ' ' ILE . 6.2 mt -126.91 166.53 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 47' ' ' THR . 2.3 m-20 171.42 113.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.2 p 50.99 55.45 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 45' ' ' ASP . 66.4 p -138.55 -149.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -88.59 18.97 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.6 p -56.45 152.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.93 165.83 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.4 HG22 ' SG ' ' A' ' 25' ' ' CYS . 11.2 t -115.19 138.79 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 58.9 t60 -149.36 141.22 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.04 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.18 56.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -173.0 172.4 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.816 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -107.45 149.09 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 7.5 m-85 -148.25 125.36 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -62.4 136.38 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 60' ' ' SER . 30.7 tptt -37.13 -62.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 59' ' ' LYS . 3.4 m -34.57 -50.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.1 m -62.17 -55.77 25.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.1 t80 -43.16 -50.39 6.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.44 75.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -68.44 -56.95 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -62.25 -47.03 86.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.719 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.1 m-85 -60.34 -37.03 79.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.998 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.62 8.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.5 143.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 t -179.88 124.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -177.8 142.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -171.21 120.05 0.48 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.39 4.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -169.31 156.13 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -171.95 92.82 0.41 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -159.64 167.26 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.45 175.5 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -174.02 169.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.92 165.82 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.1 ptm -151.22 170.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.5 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 5.3 m-20 -150.71 -157.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -137.76 171.69 23.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.1 t -99.75 108.89 53.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -70.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.457 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 25.7 p -79.26 -33.59 43.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.08 -26.55 14.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.21 138.53 57.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 0.72 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.452 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -52.71 165.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 71.6 t -136.25 123.64 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 14.7 t80 -171.06 135.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.64 -151.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.52 137.92 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.11 57.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 128.07 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.016 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.4 p -128.62 149.58 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -130.03 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 149.78 21.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.02 55.44 8.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.26 38.97 5.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -144.14 173.17 11.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.5 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 2.9 p -132.96 144.14 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.016 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.5 176.93 11.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -78.34 127.18 31.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -18.76 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.2 p -79.48 -53.16 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.75 -59.71 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.829 ' HE2' HD22 ' A' ' 157' ' ' LEU . 3.9 t80 -33.62 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 142' ' ' CYS . 16.7 mtt180 -128.03 170.64 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.773 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.2 t -72.5 128.34 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.18 34.91 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 -46.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.4 p -111.02 -26.55 9.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.75 19.93 52.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 130.16 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.426 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -50.19 144.07 7.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -110.36 -173.12 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.76 174.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.9 t -50.8 149.32 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.5 m 39.14 65.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.51 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.829 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -71.76 169.53 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.78 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.02 98.67 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.728 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -86.1 104.27 15.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 76.78 9.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.62 -76.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -121.96 -13.89 4.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.6 mm-40 -92.3 168.29 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.4 pt -137.32 135.55 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.3 m-85 -148.36 -173.29 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.4 p -99.64 148.91 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.48 -43.87 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.45 -32.16 60.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.2 m -80.51 -47.18 14.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.595 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.5 t80 -57.15 -32.02 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -82.23 -65.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.1 mmtm -45.28 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 3.0 m120 -38.08 -44.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 173' ' ' ASN . 3.9 m-85 -133.78 63.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -121.62 121.62 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.5 t -80.93 105.54 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.251 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.43 6.29 61.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.8 t -94.2 -65.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' HG12 ' A' ' 12' ' ' VAL . 29.0 p -84.52 -23.0 29.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.6 tt0 83.84 29.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 175.46 5.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.81 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.855 HG11 ' HG3' ' A' ' 22' ' ' GLU . 98.2 t -109.24 135.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 4.7 t80 -113.93 123.1 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 18' ' ' TYR . 18.2 p90 -37.51 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.57 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 32' ' ' LYS . 4.7 pt-20 -134.5 44.57 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.855 ' HG3' HG11 ' A' ' 17' ' ' VAL . 6.4 tt0 -92.06 132.59 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 32' ' ' LYS . 74.3 t -120.11 117.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -97.2 161.61 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.84 170.57 20.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.01 110.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.45 54.81 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -171.04 168.73 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 50.3 p -169.86 123.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -138.28 165.03 27.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.756 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.2 m80 -59.92 155.03 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.632 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.4 ptmt -52.21 -36.58 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -93.93 23.57 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 12' ' ' VAL . 35.4 m -127.08 31.41 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.851 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -133.59 87.3 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.78 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -141.55 133.36 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 39' ' ' VAL . 44.4 t -45.4 114.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 14.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 57' ' ' TYR . 15.7 t -113.51 -72.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 9.5 p -74.5 -24.34 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 83.63 21.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 126.98 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.51 147.77 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -124.88 163.69 21.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.96 -66.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 p 170.16 110.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.12 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 48' ' ' THR . 13.3 t -136.84 62.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.851 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.4 p -113.06 173.35 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -155.54 164.78 38.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.39 154.49 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -156.0 127.0 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.16 -117.74 3.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.83 47.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -159.31 165.3 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.715 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -114.52 148.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 2.0 m-85 -145.63 143.79 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.8 ' HB3' HD21 ' A' ' 44' ' ' LEU . 19.7 p -78.01 136.59 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' THR . 11.7 tttt -38.34 -61.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -34.14 -49.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 16.7 m -62.96 -57.1 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.327 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.633 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -43.02 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.66 -26.75 72.13 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -44.85 76.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -69.63 -55.72 9.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 62' ' ' TYR . 12.6 m-30 -58.22 -28.11 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.52 173.35 41.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -178.41 169.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p 178.42 167.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 166.76 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.84 95.0 0.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.83 9.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -171.73 158.98 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 176.77 99.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 175.31 161.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.1 175.96 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 161.56 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.24 165.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.23 170.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 0.8 OUTLIER -160.67 -153.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.51 172.13 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.6 t -99.42 108.93 52.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -2.35 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.16 -70.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.449 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 24.6 p -79.41 -34.84 41.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.52 -25.92 14.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -61.15 141.57 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 163.2 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -134.94 117.11 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -159.7 139.18 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.496 ' O ' ' CD ' ' A' ' 130' ' ' LYS . . . 66.34 -157.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.04 134.45 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 77.67 61.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -146.11 93.04 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.9 p -84.73 149.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 34.6 mm -127.02 116.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.54 146.25 15.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 159' ' ' ASP . . . 45.68 59.54 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.89 39.48 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -140.47 168.75 19.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -128.73 137.7 51.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.958 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -156.3 175.38 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -79.75 127.61 32.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.13 -16.81 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -51.99 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.502 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.19 -59.68 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -29.24 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptt180 -139.21 168.58 19.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.63 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.2 t -63.95 125.88 25.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.42 31.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -46.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.4 p -111.0 -26.45 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.29 20.67 44.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -88.19 118.09 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 98.3 p -49.64 145.65 4.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -120.57 -173.68 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -141.3 -65.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.504 ' HA ' HD23 ' A' ' 157' ' ' LEU . 7.4 t -175.89 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 156' ' ' THR . 23.5 m -81.1 67.21 6.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 169.46 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -70.42 173.62 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.702 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -139.06 111.04 7.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -90.48 93.64 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.0 OUTLIER -91.28 -163.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.92 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . 44.73 34.72 3.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.7 mm-40 -136.77 162.35 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.895 HD13 ' CE1' ' A' ' 143' ' ' PHE . 18.4 pt -130.69 136.67 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.5 m-85 -146.63 -173.65 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.5 p -101.35 150.03 23.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.534 ' HE2' ' HB2' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -45.86 -43.79 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.66 -30.31 62.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.3 m -81.89 -47.56 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.556 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.8 t80 -57.84 -32.56 67.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.534 ' HB2' ' HE2' ' A' ' 167' ' ' LYS . . . -81.29 -61.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 173' ' ' ASN . 8.7 mtpt -47.32 -60.74 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 172' ' ' LYS . 99.1 m-20 -39.66 -39.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 171' ' ' ALA . 4.9 m-85 -123.28 58.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.75 121.93 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.5 t -81.89 107.74 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.04 4.55 61.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -95.48 -67.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.9 p -79.5 -23.24 43.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 83.27 27.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 146.13 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.47 153.04 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.036 HG22 ' NE2' ' A' ' 31' ' ' HIS . 47.8 t -119.86 156.3 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.58 118.61 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 19' ' ' PHE . 25.0 p90 -37.61 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.52 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -111.2 -13.82 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.3 pt-20 -38.95 133.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 35' ' ' PHE . 53.4 t -116.11 117.19 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 165.67 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -148.79 145.44 27.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' CYS . 33.1 mt-10 -37.6 -52.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.84 48.7 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 176.44 -174.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 0.722 . . . . 0.0 110.002 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.465 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 48.3 p 179.46 117.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.41 172.33 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.036 ' NE2' HG22 ' A' ' 17' ' ' VAL . 36.7 m80 -59.19 175.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 10.5 ttpp -71.79 -55.57 7.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -66.13 -36.88 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.59 -39.74 74.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.6 t80 -66.74 78.22 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.2 tt -138.62 134.51 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -44.93 115.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.468 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -78.88 13.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.425 HG21 ' HD2' ' A' ' 57' ' ' TYR . 22.0 t -110.35 -70.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.0 p -76.86 -23.55 52.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.6 ' O ' HD11 ' A' ' 36' ' ' LEU . 30.2 tttt 81.43 24.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 126.25 50.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.735 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -47.48 146.09 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.988 HD13 HG23 ' A' ' 49' ' ' VAL . 32.1 mt -120.89 155.4 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -147.85 175.98 10.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 p -63.85 96.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 48' ' ' THR . 7.7 t -163.12 -50.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 47' ' ' THR . 11.8 t -170.09 39.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.988 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -85.82 146.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -127.33 164.92 20.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 ' SG ' ' A' ' 25' ' ' CYS . 4.5 t -120.49 148.06 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -151.39 134.83 16.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.623 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.79 -104.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.77 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 1.0 OUTLIER -167.37 168.85 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.631 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -107.74 149.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 4.9 m-85 -146.92 136.18 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.895 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.0 p -74.05 135.84 43.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -37.34 -62.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -34.15 -50.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.2 m -61.5 -58.16 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.281 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.59 -52.1 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.85 -25.21 75.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -69.32 -57.91 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -46.54 90.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -61.17 -39.15 89.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.991 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.41 156.53 8.71 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -178.48 166.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.19 167.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 170.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.82 94.98 0.11 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.6 p -132.08 177.82 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.12 99.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 p30 177.75 154.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.23 164.07 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p 178.19 160.25 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -179.19 158.92 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -178.77 159.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.64 -156.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -127.65 172.0 18.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -100.92 108.27 53.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -70.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.492 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.2 p -77.52 -33.05 54.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.12 -23.61 26.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.42 140.82 58.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -58.91 161.58 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 ' CD2' ' A' ' 139' ' ' HIS . 89.2 t -134.31 123.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 37.1 p90 -174.59 120.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.18 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.96 134.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.92 50.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.481 ' CG ' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -127.15 122.03 33.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -128.9 146.4 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.4 mp -124.05 116.08 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.33 140.99 9.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.788 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.49 56.26 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.85 36.47 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 2.5 mttt -139.57 163.11 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.609 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 50.1 m -121.74 148.72 44.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.48 171.94 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.79 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -71.24 123.94 23.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 3.0 tttm -67.25 73.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 3.2 t 162.82 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' PHE . 1.5 p -80.57 -28.03 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.331 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.18 100.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.99 155.37 20.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 38.7 t -75.49 126.65 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.01 34.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.56 -46.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.0 p -109.92 -21.5 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.22 18.51 69.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.55 133.1 37.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.81 120.86 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -94.72 -174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -166.47 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.8 p -76.37 174.27 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 155' ' ' THR . 5.8 m -72.75 61.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 167' ' ' LYS . 98.6 m -123.01 31.12 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -99.97 166.45 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.234 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.83 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.68 117.62 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.788 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 14.1 p-10 -95.45 89.36 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -124.71 139.63 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 46.43 61.55 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 39.12 36.4 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.511 ' CB ' ' CZ ' ' A' ' 165' ' ' TYR . 4.1 mm-40 -134.77 152.03 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.874 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -112.43 130.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 163' ' ' GLU . 34.7 m-85 -137.57 -177.08 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.5 p -96.23 147.77 23.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 156' ' ' THR . 0.0 OUTLIER -46.52 -41.49 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.2 -30.88 64.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -80.85 -47.33 13.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.648 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 2.1 t80 -58.26 -32.67 68.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.38 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 173' ' ' ASN . 5.7 mmtm -47.36 -60.92 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 172' ' ' LYS . 5.1 m120 -39.56 -38.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.2 m-85 -123.46 58.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.972 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -125.74 110.69 14.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.5 t -69.29 107.78 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.92 4.61 60.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.84 -68.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.544 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.7 p -79.1 -25.62 43.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 8.7 tt0 86.44 27.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -119.76 145.95 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 134.56 48.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.047 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.7 t -99.35 119.52 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CZ ' ' CB ' ' A' ' 20' ' ' ALA . 2.1 p90 -69.99 125.41 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -37.8 105.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' CB ' ' CZ ' ' A' ' 18' ' ' TYR . . . -172.57 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -113.45 -74.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 43.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.676 HG11 ' CD2' ' A' ' 35' ' ' PHE . 69.5 t -78.37 117.09 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.85 162.4 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.15 164.81 20.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.14 111.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.95 55.13 1.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -179.04 168.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.23 127.5 1.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -134.61 171.38 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.047 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.9 m80 -64.96 172.19 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -59.86 3.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -62.01 -35.22 77.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HB3' HG11 ' A' ' 12' ' ' VAL . 17.9 m -58.36 -43.44 88.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.758 ' HE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -67.26 78.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -135.11 133.14 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -42.6 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.331 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 mmt -77.25 7.14 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.9 t -103.18 -72.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -74.16 -25.51 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.53 24.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.73 132.68 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.0 145.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 HG23 ' A' ' 49' ' ' VAL . 12.4 mt -122.19 144.01 49.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -138.15 175.81 9.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -67.91 104.41 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 48' ' ' THR . 10.2 t -167.57 -48.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.679 ' O ' HG23 ' A' ' 48' ' ' THR . 5.6 t -171.92 45.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.971 HG23 HD13 ' A' ' 44' ' ' LEU . 10.9 p -92.74 146.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.064 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -127.47 164.16 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 55' ' ' GLU . 3.4 t -123.7 151.55 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' CB ' ' OH ' ' A' ' 62' ' ' TYR . 13.6 t-160 -176.82 145.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.02 56.14 7.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.35 41.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 9.8 mt-10 -141.9 171.95 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -124.09 135.2 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.5 m-85 -146.49 143.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.969 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.3 p -73.42 131.96 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -40.51 -52.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 58' ' ' CYS . 1.6 m -68.67 -55.55 11.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.064 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 3.9 m-85 -43.35 -51.25 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.41 80.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -61.97 -40.67 96.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -54.87 8.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 22.7 m-85 -57.44 -21.2 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.987 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.4 158.02 29.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -140.91 139.74 34.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.72 150.35 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -173.01 145.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.28 94.48 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.08 23.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -146.52 138.26 24.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.82 154.85 39.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.98 38.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.07 160.93 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.74 82.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.71 123.26 17.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.45 141.7 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 147.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER 175.78 175.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -94.6 170.91 30.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 49.5 t -96.68 109.39 48.12 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.561 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -67.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -82.05 -38.15 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.04 23.44 8.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.2 136.42 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.482 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.73 147.71 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.819 HG22 ' NE2' ' A' ' 139' ' ' HIS . 49.1 t -131.14 116.37 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.9 -51.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.62 -168.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.25 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.29 56.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 136.57 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -132.6 147.03 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -126.23 115.56 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.79 153.2 25.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.3 53.86 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 42.67 43.72 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.433 1.083 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -150.18 158.33 44.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 116' ' ' ASP . 6.1 m -117.94 139.0 51.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 0.972 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.02 171.96 18.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.819 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.94 127.93 34.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -18.49 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -76.76 -52.69 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.9 m -69.24 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.096 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -33.79 103.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 140.86 28.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.416 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -41.48 126.95 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.2 -46.56 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.3 p -110.07 -19.55 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.01 18.62 71.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 119.58 24.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 86.4 p -56.24 140.3 45.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -108.02 -175.0 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 178.84 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 176.31 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 155' ' ' THR . 7.9 t -73.19 58.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.783 HG23 ' HD3' ' A' ' 167' ' ' LYS . 26.6 m -130.8 33.14 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.908 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.7 OUTLIER -109.13 -178.56 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.908 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.13 117.23 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 12.9 p-10 -93.38 99.79 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.51 96.66 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 41.35 58.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 94.89 -49.53 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.1 mt-10 -52.23 158.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.096 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.8 pt -133.83 133.21 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -144.4 -175.3 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.8 p -98.49 148.89 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.783 ' HD3' HG23 ' A' ' 156' ' ' THR . 8.3 pttm -47.04 -39.53 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -60.01 -30.0 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.1 m -81.54 -48.15 12.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.645 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -58.35 -33.39 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.19 -62.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.8 OUTLIER -47.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 172' ' ' LYS . 7.9 m-20 -39.42 -38.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.6 m-85 -122.08 58.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD2' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.63 127.23 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.1 t -84.23 108.41 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.35 61.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.47 -68.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.531 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.82 -24.3 48.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.1 tm0? 83.7 26.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.31 144.89 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 156.89 15.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.057 HG22 ' NE2' ' A' ' 31' ' ' HIS . 43.9 t -130.72 161.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.412 ' N ' HG12 ' A' ' 17' ' ' VAL . 78.6 m-85 -95.02 176.09 6.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 76.7 t80 -83.48 69.69 10.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.67 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.1 mm-40 -62.84 -44.15 96.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -40.42 124.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.78 HG11 ' HD2' ' A' ' 35' ' ' PHE . 57.3 t -118.21 117.19 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.05 126.14 30.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.79 138.71 44.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.6 ' O ' HG11 ' A' ' 51' ' ' VAL . 8.7 mm-40 -39.16 105.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.94 -56.02 0.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.77 177.53 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.434 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 87.5 p -113.49 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.58 164.67 26.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.057 ' NE2' HG22 ' A' ' 17' ' ' VAL . 38.6 m80 -57.42 162.35 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -58.64 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.73 -30.11 71.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -57.82 -42.84 85.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.881 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -64.54 75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 41.9 t -42.07 114.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.29 13.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.1 t -112.62 -72.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 p -75.34 -20.6 58.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.339 179.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER 78.03 22.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 134.97 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.412 ' N ' HD12 ' A' ' 36' ' ' LEU . 13.6 m120 -60.78 142.48 55.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.938 HD22 HG23 ' A' ' 49' ' ' VAL . 2.9 mt -112.58 157.17 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.93 174.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 47' ' ' THR . 23.8 m -88.4 41.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -128.77 8.19 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG23 HD22 ' A' ' 44' ' ' LEU . 9.2 p -80.26 155.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -139.59 164.46 29.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' O ' ' A' ' 26' ' ' GLU . 4.4 t -120.01 173.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.575 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -162.51 169.71 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.608 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.71 100.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 43.73 52.47 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -163.95 162.24 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 36' ' ' LEU . 3.0 pt -127.11 128.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.8 m-85 -136.21 154.18 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.4 p -90.41 158.68 16.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -39.26 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.7 m -33.65 -68.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 m -41.98 -54.19 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -43.72 -64.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.22 -16.35 41.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -73.65 -52.51 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -53.83 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -61.44 -40.12 93.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.987 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.94 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.3 169.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -176.43 169.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.65 174.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.98 148.91 19.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.79 5.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -168.45 161.11 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -163.48 99.83 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.56 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -157.28 167.74 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -177.01 170.95 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -178.84 170.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.9 167.37 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.3 ptm -162.54 170.52 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -167.26 -156.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -126.25 170.71 18.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.504 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 36.7 t -100.12 108.29 51.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 138' ' ' TRP . 18.5 Cg_endo -74.98 0.21 9.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -93.0 -69.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.507 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 14.1 p -77.33 -33.74 55.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.133 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.38 23.43 16.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 125' ' ' VAL . 3.3 mt-30 -112.6 135.83 52.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.49 145.93 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.728 HG12 ' HG3' ' A' ' 130' ' ' LYS . 59.3 t -133.25 129.81 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.95 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -72.25 -168.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.47 147.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 72.88 56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.728 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpt -129.51 101.05 5.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.3 p -93.18 148.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 130' ' ' LYS . 4.3 mp -127.29 115.36 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.86 20.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 45.49 57.03 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.99 42.05 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -146.01 162.05 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.2 OUTLIER -120.97 141.45 50.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.35 171.06 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.507 ' CE1' ' SG ' ' A' ' 121' ' ' CYS . 40.6 m80 -69.07 128.0 35.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -67.12 70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 139' ' ' HIS . 6.0 p 166.55 -50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.968 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.6 p -60.95 -27.6 68.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 1.011 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.05 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.59 137.09 45.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' CYS . . . . . 0.717 ' HB2' HD21 ' A' ' 152' ' ' LEU . 34.0 t -64.32 128.74 37.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 35.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.512 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.9 OUTLIER -135.84 -46.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.3 p -109.58 -17.25 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 72.58 16.11 77.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.85 133.46 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 t -68.03 121.5 16.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -88.99 -173.3 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.1 71.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.05 53.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 155' ' ' THR . 21.3 m -132.92 56.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 167' ' ' LYS . 94.8 m 49.44 91.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.2 OUTLIER -99.66 127.83 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -84.47 154.16 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.836 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -131.29 95.34 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.62 99.58 11.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 13.8 m-20 38.57 70.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.08 -48.99 4.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 30.9 mm-40 -53.1 149.08 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 1.011 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.2 pt -127.25 134.67 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 42.7 m-85 -143.36 -177.01 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -96.85 144.13 27.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HB3' HG22 ' A' ' 156' ' ' THR . 2.0 pttt -46.11 -40.71 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.15 -31.37 65.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -80.39 -47.78 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' TYR . . . . . 0.472 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.77 -32.59 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.04 -63.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.3 -61.94 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.459 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 51.6 t-20 -38.76 -38.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.8 m-85 -123.73 58.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 154.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.52 -63.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 107.997 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.9 -126.88 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.77 -173.43 23.6 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA2' ' CD2' ' A' ' 19' ' ' PHE . . . 175.99 -173.94 46.59 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -102.74 177.09 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' SER . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -39.7 160.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.79 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -104.98 -63.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.71 -161.85 32.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -97.65 176.14 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.85 -140.16 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.43 -147.23 8.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -164.7 169.83 16.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.65 -171.51 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.97 175.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.7 151.16 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -172.53 155.51 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 tp -172.14 147.52 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 t -169.17 143.33 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -172.58 151.98 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 179.56 140.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.89 162.16 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.33 113.98 2.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.19 126.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.3 p -179.44 137.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.39 150.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.237 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.532 ' N ' HD22 ' A' ' 88' ' ' LEU . . . 175.03 160.85 23.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tt -173.6 154.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -163.7 158.65 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -167.01 168.16 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.76 171.06 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.26 170.64 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.78 163.43 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.14 141.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.8 131.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.04 172.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.18 -164.18 11.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.69 -129.09 2.9 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p 56.98 164.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.94 161.16 30.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.3 10.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 172.68 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -139.17 151.54 21.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -75.71 157.75 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -109.52 170.56 14.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -145.07 171.12 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -142.42 -167.6 11.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.96 164.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -116.33 -157.33 11.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.05 122.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -75.01 -128.32 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.52 156.54 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -142.95 176.35 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.488 ' C ' HD12 ' A' ' 189' ' ' ILE . 2.5 pp -121.0 168.47 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 162.76 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.35 132.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.91 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -95.21 166.43 11.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -129.55 161.71 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.56 162.93 11.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.29 153.52 8.76 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -145.39 15.35 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 178.67 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.59 159.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.92 158.81 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.77 -160.33 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -168.9 176.51 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.67 164.93 37.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 176.81 1.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.09 166.36 30.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.5 ttt -178.12 151.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.86 -163.76 10.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.06 175.73 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.76 175.17 43.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -154.46 160.46 41.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.82 174.69 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 t -170.28 153.46 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -163.63 138.94 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -145.47 163.15 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 176.58 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.84 156.5 18.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 179.41 159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -178.31 169.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.7 166.58 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.14 173.46 40.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.9 151.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.06 174.64 11.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -168.66 160.79 10.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.07 171.16 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -153.39 171.36 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.49 175.98 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -138.2 171.16 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -140.86 176.59 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.2 p -158.08 168.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.433 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -145.43 -170.76 14.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -117.56 151.32 18.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p -178.9 166.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -158.0 -145.41 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.64 8.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.72 121.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -91.31 174.93 38.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.51 168.67 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.31 157.36 29.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -110.46 167.72 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 147.56 89.48 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.82 162.2 6.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 172.49 152.5 8.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.21 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 102.85 73.99 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.96 -61.11 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.356 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.562 ' H ' HD12 ' A' ' 188' ' ' LEU . 4.9 mp -53.1 157.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.759 ' H ' HD13 ' A' ' 189' ' ' ILE . 0.2 OUTLIER -127.99 145.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -46.0 166.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.594 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 60.6 p -114.11 87.14 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.493 0.187 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 179.76 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.45 144.83 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -179.32 161.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.022 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.98 158.65 8.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.75 163.06 12.21 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.81 154.13 7.84 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -107.09 -179.09 3.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.24 158.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.99 5.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 170.93 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.89 -169.88 34.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.83 176.69 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.38 39.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.15 172.84 16.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.88 155.68 11.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.12 163.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.46 154.47 13.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.5 166.19 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -157.55 169.52 34.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -154.68 164.34 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 80' ' ' LEU . 1.1 pt? -165.54 162.18 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.97 160.61 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -149.94 159.96 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.34 158.26 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 164.04 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.61 162.49 11.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -171.14 157.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.8 m -159.46 157.69 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.6 162.2 39.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.38 140.41 2.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -172.55 146.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 145.34 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.7 152.99 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -179.62 136.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.25 158.87 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.89 147.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.38 159.33 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 158.22 3.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.87 144.0 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.87 -143.87 15.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.18 100.81 0.93 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p -178.41 170.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 169.82 81.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -87.05 138.73 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.74 -82.72 0.83 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.54 171.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 164.09 147.81 5.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.05 123.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -158.25 94.66 0.14 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.4 110.24 21.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.85 115.9 0.85 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -124.44 -61.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.77 97.42 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -76.02 121.45 22.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.05 103.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.6 tt -78.61 148.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 144.12 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.92 97.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.32 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -134.21 150.16 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -157.45 126.21 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.49 164.19 34.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.91 174.37 40.01 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.555 ' HA3' ' CD2' ' A' ' 18' ' ' TYR . . . -90.88 -127.2 3.6 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.1 169.68 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.57 170.24 2.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.23 40.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 154.04 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.02 -159.93 5.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -161.14 161.62 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.63 -146.09 9.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.98 163.61 32.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 -154.02 22.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.83 163.67 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.97 -144.65 13.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.49 176.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.5 -174.49 13.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -139.39 169.7 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.02 171.03 18.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.4 p -173.03 168.57 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -170.64 145.16 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -145.32 146.06 31.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -174.88 143.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.14 147.81 5.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.37 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t 177.92 145.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tp -177.17 158.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.28 106.37 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.27 157.78 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 131.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -173.52 118.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -177.5 132.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -177.32 146.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -137.61 175.57 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.41 170.98 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 176.39 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.445 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.6 p -141.53 168.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -109.74 -157.55 17.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.5 158.3 14.39 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p -177.45 142.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 172.68 69.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.759 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.53 108.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -95.13 155.98 21.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -175.55 139.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 0.8 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.8 157.44 27.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -175.59 125.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -113.21 -177.74 19.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -160.73 154.45 22.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -150.98 144.75 12.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -163.49 166.11 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.64 167.68 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -166.37 117.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.68 130.15 20.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.98 143.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.62 168.54 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.01 116.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.68 108.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CG ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -179.63 160.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 4' ' ' TRP . . . 128.65 143.64 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.36 147.07 7.08 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 142.3 4.08 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.86 177.91 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.86 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -167.18 175.94 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.37 46.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 176.32 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.95 176.8 46.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -176.82 176.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.764 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.91 -178.86 45.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 168.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.45 36.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.37 175.31 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.06 -175.12 28.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -172.33 145.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.405 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.99 174.26 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 p -178.67 168.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -172.26 161.2 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -179.22 167.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 158.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.36 167.19 39.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.3 167.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p 178.84 168.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.46 175.47 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.67 159.63 20.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 pt -137.05 176.48 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.17 158.51 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.3 163.3 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -179.82 158.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -172.97 164.21 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -163.17 174.85 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.58 169.16 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -143.27 175.75 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.7 p -172.54 167.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -144.6 -156.22 6.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.71 155.88 17.52 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -178.18 159.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.73 -145.51 12.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 135.7 29.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -168.47 146.64 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -175.71 118.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -97.43 168.21 23.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -52.88 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 102.21 -135.88 12.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -123.51 165.53 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -137.32 177.74 19.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 52.64 175.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.75 -59.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.91 175.0 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.79 79.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 190' ' ' HIS . 42.0 pt -108.53 128.58 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -39.33 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 12.2 p -58.14 124.25 18.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.8 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.516 0.198 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.46 167.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 75.6 t-105 -121.01 167.25 12.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 108.006 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 4' ' ' TRP . . . -124.46 -159.07 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.75 -143.72 4.13 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.53 -153.52 6.02 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.45 173.55 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -124.71 116.46 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 41.7 t -79.38 107.73 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.54 61.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.514 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.3 p -80.62 -19.99 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 79.43 27.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -118.45 149.96 40.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 138.15 45.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.012 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.8 t -104.86 145.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 158.91 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.15 96.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.0 -60.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' GLU . 42.6 mp0 -106.68 -77.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLU . 11.7 pt-20 38.38 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' HD2' ' A' ' 35' ' ' PHE . 40.7 t -78.96 117.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -76.17 145.6 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 77.2 m -147.82 156.21 42.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -40.46 116.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 39.33 52.82 2.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 175.59 172.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.4 p -161.67 132.8 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -137.46 167.63 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.012 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.3 m80 -60.44 168.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.0 tttm -60.48 -44.08 96.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.37 34.26 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 m -129.52 21.69 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 108.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.873 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -129.01 86.66 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -144.79 134.43 23.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.7 t -47.67 112.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 5.89 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.823 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.1 t -101.86 -73.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.6 p -72.44 -23.34 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.347 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 81.45 23.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.01 134.49 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -45.15 153.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.008 HD22 HG23 ' A' ' 49' ' ' VAL . 10.1 mt -117.37 174.11 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.21 166.41 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 94.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -167.33 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 48' ' ' THR . 14.9 t -166.9 59.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.008 HG23 HD22 ' A' ' 44' ' ' LEU . 4.2 p -110.49 159.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.063 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -151.88 163.3 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' C ' ' HH ' ' A' ' 62' ' ' TYR . 3.3 t -124.22 166.66 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -164.35 121.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.04 -107.05 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.25 43.33 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mp0 -148.87 164.21 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -131.38 135.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.823 ' CD1' HG23 ' A' ' 39' ' ' VAL . 9.0 m-85 -140.67 166.57 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.55 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.1 p -93.64 134.54 35.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CB ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -41.16 -55.98 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' LYS . 47.8 t -38.65 -42.06 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.3 m -70.62 -57.95 4.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.063 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 6.0 m-85 -40.31 -51.37 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.72 79.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -39.42 81.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -53.84 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 23.4 m-85 -57.84 -18.71 23.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.53 98.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 178.2 7.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -133.37 175.73 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.72 158.91 23.66 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 163.25 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.14 153.8 7.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -174.4 170.04 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.71 153.62 7.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.6 ptm -179.22 163.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.94 164.97 27.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.12 172.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.1 164.11 32.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -172.65 149.22 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -176.53 151.61 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.3 p -162.44 167.85 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 t -172.67 151.07 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -168.84 166.97 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -158.8 176.78 11.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.0 -176.19 37.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.94 165.53 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 t -175.61 156.35 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.554 ' N ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -154.1 176.84 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.08 154.28 7.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.1 tt -170.63 161.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -175.82 151.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -171.73 158.0 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.94 155.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.08 162.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.88 151.24 5.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.53 161.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.6 p 177.81 144.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -173.89 150.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -177.95 85.31 0.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.56 42.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.2 t -172.63 144.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 26.6 p-10 177.6 99.85 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.15 4.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.96 154.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -179.46 155.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.98 153.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.64 152.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.19 159.96 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.13 151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 151.64 2.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.2 p -172.77 143.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.17 -173.65 27.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.83 154.69 8.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.9 p 54.96 170.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.76 -156.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -124.42 171.58 16.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.81 108.01 51.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.98 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.421 ' HA ' ' NH1' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -95.91 -71.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.454 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 23.1 p -76.56 -30.95 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.75 -23.29 31.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.18 143.24 57.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -62.61 160.2 14.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.715 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.7 t -133.07 119.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.6 t80 -153.34 138.68 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.16 -159.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.66 140.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.93 58.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -144.77 100.25 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.1 p -93.27 148.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.41 115.76 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.63 18.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.6 59.97 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.03 40.03 1.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -144.02 166.05 26.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -125.44 147.78 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.017 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.28 171.28 12.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.715 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.6 m80 -71.64 126.28 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 4.8 tttt -67.73 69.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.5 t 170.62 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.6 p -72.3 -30.65 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.953 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.57 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -121.4 148.09 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.555 ' N ' HD11 ' A' ' 152' ' ' LEU . 35.0 t -60.99 127.65 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.51 35.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 -46.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.11 -21.2 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.79 72.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.68 158.37 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.7 p -82.27 145.13 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.555 HD11 ' N ' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -134.05 -174.44 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 -64.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 156' ' ' THR . 0.6 OUTLIER -160.57 151.55 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 157' ' ' LEU . 69.3 m 67.85 -64.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' SER . 67.8 p -44.69 -26.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -73.37 146.51 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.886 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -127.64 118.88 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.689 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 38.8 p-10 -90.54 95.87 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -118.33 126.31 51.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 33.6 t0 55.25 27.67 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.83 -28.73 6.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -69.2 163.24 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.953 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -122.09 129.4 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 36.3 m-85 -138.04 -173.7 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.7 p -94.76 148.0 22.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -45.98 -42.18 12.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.08 -31.33 65.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 2.2 m -79.08 -46.62 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.469 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -57.75 -31.95 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.35 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 173' ' ' ASN . 60.2 mttm -47.92 -66.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.4 t-20 -38.35 -33.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' ALA . 81.3 m-85 -119.03 58.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -169.87 67.3 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 168.15 25.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -171.81 62.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 153.26 -131.36 3.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -123.54 172.64 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -147.05 -167.76 13.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -112.13 134.79 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -63.86 145.29 49.69 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -125.6 164.48 20.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 0.725 . . . . 0.0 110.306 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -124.22 -179.57 15.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -157.56 146.16 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.32 142.7 4.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -176.16 144.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.66 62.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 189' ' ' ILE . 0.8 OUTLIER -171.25 67.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -106.95 70.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 11.7 p -92.15 134.11 35.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.5 167.82 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.56 175.92 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.85 -141.09 9.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.83 -145.68 8.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . -141.33 -137.88 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -102.0 179.31 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.44 44.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -89.63 108.87 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.42 5.05 61.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.776 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -97.04 -67.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.7 p -78.91 -27.5 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 86.57 28.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -119.09 150.76 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 154.68 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.939 HG22 ' NE2' ' A' ' 31' ' ' HIS . 46.0 t -132.52 144.88 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -80.49 -179.84 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.8 m-85 -93.93 78.35 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 169.85 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 pt-20 -60.17 -37.04 78.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -39.21 130.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.4 t -122.14 118.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -80.51 136.86 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.407 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 3.8 t -141.5 139.48 33.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 105.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.75 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.4 176.91 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -113.58 132.07 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -127.63 170.99 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.939 ' NE2' HG22 ' A' ' 17' ' ' VAL . 49.3 m80 -58.2 171.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -71.06 -45.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.8 p -72.07 -35.55 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.42 -42.16 81.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.847 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.3 t80 -68.5 75.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -136.66 134.41 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.7 t -48.47 112.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 9.67 4.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.0 t -105.14 -68.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 13.1 p -78.57 -27.31 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.321 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 87.75 24.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.24 129.0 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -56.2 146.44 23.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 58' ' ' CYS . 14.9 mt -124.74 115.83 21.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.62 61.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.49 171.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' THR . 42.1 p -55.78 -165.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 48' ' ' THR . 2.1 m 62.71 12.62 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.0 p -100.81 148.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -129.81 162.85 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 52' ' ' HIS . 3.6 t -123.64 168.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 t60 -165.65 108.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.48 -108.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.36 38.96 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 21.5 mm-40 -146.71 157.81 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -122.92 139.75 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.895 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.9 m-85 -144.52 142.56 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.764 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.8 p -75.67 137.63 40.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -44.66 -56.26 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.4 m -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 5.6 m -68.31 -56.52 8.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.893 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.4 m-85 -43.81 -51.06 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.87 -30.68 70.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.24 92.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.95 -60.37 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -56.58 -21.73 28.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.89 157.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.7 4.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.68 173.4 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.75 176.68 45.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.25 176.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.38 176.51 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -174.06 176.22 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 73' ' ' LYS . . . 160.84 157.05 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -179.11 170.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.08 160.01 11.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.15 176.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.38 151.88 6.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.1 p -144.37 178.74 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -177.21 174.17 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.08 168.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -172.65 166.37 5.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -178.02 167.85 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.26 176.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.97 177.87 47.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.11 171.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.38 170.55 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -174.23 176.77 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.615 ' H ' HD23 ' A' ' 88' ' ' LEU . . . 168.47 162.22 20.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 tp -172.64 151.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -169.96 153.77 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.96 174.43 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -177.85 171.47 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.52 171.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.48 173.27 46.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.48 171.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.21 170.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.81 174.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 ttp-105 -178.99 94.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -170.86 165.58 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -173.48 99.71 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -173.76 159.6 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.92 171.05 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.2 p -177.37 169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.73 165.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -179.03 168.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -177.13 174.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.06 170.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -175.12 161.17 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -168.88 161.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.36 -173.95 30.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.35 163.47 36.74 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.1 p -178.46 168.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.991 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.99 -154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.94 172.26 21.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.592 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 42.5 t -101.79 106.49 47.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.612 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 -0.04 9.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.69 -66.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.52 -38.47 23.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.36 -24.36 9.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.39 144.24 57.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -60.67 164.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.92 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -134.01 116.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -155.65 -58.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.03 -171.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.27 149.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 80.2 58.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -120.87 97.51 5.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 138' ' ' TRP . 3.8 p -90.64 151.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.5 mt -138.24 114.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.88 152.23 24.01 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.23 57.88 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.06 38.84 0.84 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.562 ' HE3' ' CH2' ' A' ' 138' ' ' TRP . 0.4 OUTLIER -142.73 161.54 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.426 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.1 OUTLIER -121.27 142.03 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.803 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.6 -175.94 5.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.92 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -81.36 139.68 35.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -78.22 50.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 p -158.21 -43.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 1.7 m -81.83 -29.06 32.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.171 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.6 t80 -52.75 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 0.5 OUTLIER -125.74 159.9 31.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 11.8 t -63.19 130.86 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.52 38.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -141.38 -47.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.08 -21.85 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.75 86.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -60.75 126.94 29.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.465 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 30.7 t -68.7 141.11 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.86 -174.01 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -154.06 -58.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 p 167.06 78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.433 ' C ' HG23 ' A' ' 156' ' ' THR . 32.8 p -141.32 -63.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 155' ' ' THR . 61.2 p -151.74 70.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.2 OUTLIER -102.16 139.07 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -95.25 152.95 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.649 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.7 OUTLIER -130.45 100.47 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 174' ' ' PHE . 0.4 OUTLIER -94.88 89.51 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 37.67 69.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 95.64 -52.32 1.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 1.0 OUTLIER -56.25 151.27 12.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.171 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -131.73 132.54 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 59.9 m-85 -141.23 -178.51 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 169' ' ' CYS . 27.1 p -94.76 145.99 24.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -46.74 -40.71 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.45 63.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.9 m -81.76 -47.58 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.51 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 2.2 t80 -57.96 -32.29 67.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.55 -63.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 173' ' ' ASN . 33.9 mttp -46.78 -61.99 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.497 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 59.3 t-20 -39.21 -39.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 160' ' ' LYS . 1.5 m-85 -121.2 60.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -128.72 -85.46 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.61 20.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -99.68 176.37 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 72.0 87.91 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 171.12 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -144.25 170.87 25.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 181' ' ' PHE . 8.8 p90 -136.64 162.68 32.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -155.98 114.16 0.6 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -52.59 142.33 18.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -178.35 62.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -156.76 63.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -84.07 -156.05 22.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -155.51 109.49 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.26 108.98 10.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.56 HD13 ' N ' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -81.53 127.67 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.56 ' N ' HD13 ' A' ' 189' ' ' ILE . 0.3 OUTLIER -83.52 141.21 31.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 10.0 p 58.36 112.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.9 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.99 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.772 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.69 167.68 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -165.78 158.8 15.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 107.955 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.94 166.65 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.22 179.96 48.81 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.85 -179.34 47.92 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -110.79 177.07 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -130.98 119.15 21.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -79.58 106.54 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.9 4.12 62.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.52 -68.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.613 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.04 -23.82 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.74 27.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' NZ ' ' H ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -117.72 149.81 40.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' H ' ' NZ ' ' A' ' 15' ' ' LYS . . . -69.23 145.73 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.009 HG22 ' NE2' ' A' ' 31' ' ' HIS . 48.4 t -115.1 158.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.14 131.09 41.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.97 101.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . -179.83 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -143.67 49.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.09 150.26 23.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 32' ' ' LYS . 45.3 t -127.8 123.05 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -104.01 146.35 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.94 135.51 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.45 104.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.74 -55.52 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -154.11 172.88 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.16 134.38 51.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -132.06 164.93 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.009 ' NE2' HG22 ' A' ' 17' ' ' VAL . 66.7 m80 -57.49 160.21 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.2 tttp -57.07 -38.11 72.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.99 20.45 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 31' ' ' HIS . 16.6 m -120.72 28.2 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.976 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.2 t80 -124.97 68.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -134.57 134.51 41.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.6 t -47.95 113.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 9.27 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -103.68 -67.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -79.85 -26.42 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 5.1 tttt 87.28 23.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 129.82 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.611 ' OD1' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.72 146.88 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 49' ' ' VAL . 18.2 mt -124.84 156.76 37.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -153.88 78.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.9 m 55.03 167.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 48' ' ' THR . 26.9 m 62.61 109.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 47' ' ' THR . 1.9 m 84.46 -45.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.976 HG21 ' CE1' ' A' ' 35' ' ' PHE . 12.3 p -49.09 144.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -132.49 166.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.68 147.25 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 32.8 t-80 -155.83 122.1 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.53 -101.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -129.49 52.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -165.9 160.03 16.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -110.67 142.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.953 ' CD1' HG23 ' A' ' 39' ' ' VAL . 24.6 m-85 -146.29 129.02 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.7 p -65.13 143.56 57.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 108.269 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -39.11 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -30.36 -58.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.5 m -50.59 -60.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -41.54 -61.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.85 -21.65 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -76.8 -38.75 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -57.96 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -63.98 -45.79 87.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.52 98.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 175.08 11.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -153.41 175.02 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 -175.02 35.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.37 175.63 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.08 175.48 47.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.09 175.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.85 -171.26 32.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 ttm -178.8 168.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.73 -173.78 35.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.25 174.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 164.94 30.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -171.39 163.93 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 81' ' ' SER . 0.3 OUTLIER -176.11 143.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.627 ' N ' HD13 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -176.18 165.33 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -171.43 163.82 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 174.64 167.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.25 175.01 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.59 162.08 21.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.5 152.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.52 164.02 4.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.83 164.38 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.48 6.97 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -172.24 151.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.65 164.2 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -173.72 162.78 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.44 165.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 179.73 169.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.56 156.96 8.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.36 167.13 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 165.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 174.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 93.85 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.88 6.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -171.58 161.66 6.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.6 t30 179.7 99.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -162.54 167.65 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.47 175.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.8 p 178.57 169.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 168.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ttp -178.9 162.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.04 165.37 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -176.62 170.17 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 166.05 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.5 p -170.95 151.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.94 179.41 30.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -175.13 148.67 9.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -161.72 150.46 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 125' ' ' VAL . 1.3 m-20 179.17 175.58 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -96.81 171.46 27.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 40.8 t -98.17 108.96 49.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 18.2 Cg_endo -75.06 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -94.58 -69.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.6 p -80.04 -34.99 37.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.27 22.99 11.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 137.95 46.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.41 148.25 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.851 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.7 t -129.72 116.03 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.612 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.9 p90 -178.02 129.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 77.59 93.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 61.65 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.66 48.11 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.48 ' CB ' HG12 ' A' ' 125' ' ' VAL . 3.7 pttp -135.73 118.0 15.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.009 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -114.52 146.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -125.45 115.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.47 152.21 24.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 49.59 40.93 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.46 41.05 71.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.3 OUTLIER -148.42 159.94 43.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.478 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -116.12 138.91 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.009 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.8 173.76 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.851 ' NE2' HG22 ' A' ' 125' ' ' VAL . 35.3 m80 -80.11 117.82 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.643 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 153' ' ' GLU . 0.7 OUTLIER -43.68 -27.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -66.65 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.91 -45.71 92.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.955 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -47.42 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 21.5 ptt85 -144.09 144.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.496 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.5 t -41.82 129.24 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.19 33.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -135.32 -46.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.6 p -110.11 -18.02 13.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.9 0.03 89.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 121.96 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 36.7 t -60.15 144.23 50.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -113.68 -175.04 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 140' ' ' LYS . 1.8 mt-10 -143.74 -68.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.3 p 168.62 59.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 m -157.73 -58.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 10.1 t -105.25 43.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.935 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -102.71 144.84 30.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.935 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.41 119.61 27.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -97.8 105.38 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.71 91.86 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 160' ' ' LYS . 50.2 m-20 40.56 58.87 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.75 -51.49 0.98 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.538 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 3.5 mt-10 -53.96 161.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.955 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.0 pt -135.62 131.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 60.7 m-85 -144.78 -175.12 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.0 p -99.28 149.11 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -46.62 -42.88 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.33 -29.8 60.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 3.6 m -83.23 -47.32 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.484 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.4 t80 -57.59 -31.45 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.88 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 38.5 mttt -48.06 -65.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 21.5 t-20 -38.54 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 171' ' ' ALA . 80.2 m-85 -120.39 58.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -145.59 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.72 163.88 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -96.68 -134.93 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.0 166.77 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.65 -160.54 11.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -172.37 131.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -136.94 140.84 11.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 167.56 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -163.6 -168.13 25.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 60.77 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -172.16 -166.97 31.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -77.11 160.89 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.53 62.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.8 mp 47.62 91.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -90.58 62.28 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 192' ' ' GLN . 0.3 OUTLIER 74.82 -58.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 191' ' ' SER . 6.2 tp60 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.526 0.203 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -167.59 167.28 13.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -169.05 162.13 10.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 108.058 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.85 -148.69 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.91 -158.0 8.2 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.48 -157.79 9.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.47 -177.56 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -135.28 118.74 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 38.5 t -73.9 107.98 6.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.03 4.46 61.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.03 -67.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.4 p -78.56 -25.61 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 108.27 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.3 tp-100 85.99 27.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -119.13 145.25 46.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.12 12.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.005 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.8 t -126.99 158.58 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -132.71 131.69 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.8 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.2 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -144.74 50.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 32.7 tt0 -105.54 148.03 27.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 60.2 t -124.17 118.65 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.6 pt20 -107.55 136.54 47.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.17 145.2 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 116.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.44 -53.89 0.64 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -167.04 173.2 9.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 95.0 p -125.55 135.64 52.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.704 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -127.12 163.43 23.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.005 ' NE2' HG22 ' A' ' 17' ' ' VAL . 44.6 m80 -61.12 143.6 55.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -42.34 -55.8 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.18 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 m -62.02 -45.93 91.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 6.1 t80 -64.46 81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.763 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.2 tt -134.74 139.72 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -51.45 113.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.7 mmt -78.77 10.97 2.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.88 HG23 ' CD1' ' A' ' 57' ' ' TYR . 38.6 t -107.13 -69.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.5 p -78.05 -27.46 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 87.52 25.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -102.2 125.35 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.2 t30 -59.53 148.92 31.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 49' ' ' VAL . 2.1 mt -128.43 164.39 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -116.78 -80.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.513 ' C ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER 175.42 94.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 46' ' ' SER . 33.7 p -157.0 -54.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 48' ' ' THR . 14.5 t -143.95 47.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.1 p -100.89 150.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -124.39 164.41 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.38 158.6 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 t60 -153.12 110.4 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.22 -98.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.73 46.38 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -151.97 166.67 30.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.763 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -126.14 138.38 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.88 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.7 m-85 -143.33 141.22 30.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.623 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.2 p -73.5 137.17 44.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.91 -62.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -33.61 -52.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.3 m -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.696 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.18 -54.2 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.86 -21.82 71.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' CYS . 2.5 mtmt -76.37 -35.31 58.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -73.7 -60.61 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -64.72 -48.37 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.57 98.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 179.67 5.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.94 175.95 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -147.84 -167.63 13.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.11 176.18 3.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.72 177.64 43.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.16 176.51 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.47 155.88 7.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -179.39 170.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.85 163.29 13.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.94 175.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 0.0 109.325 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.05 158.95 29.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.1 p -132.51 177.91 7.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -161.97 176.39 10.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.3 169.39 10.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.3 t -172.33 164.39 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -170.96 166.32 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.19 174.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.64 177.67 47.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.59 170.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.751 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -178.49 151.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.8 168.37 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 165.92 149.24 5.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.5 175.9 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.2 163.01 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -173.53 166.77 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.94 156.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -178.41 165.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.09 156.88 10.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.89 168.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 170.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 174.28 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -171.86 95.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 t -170.42 160.07 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -169.92 131.55 1.0 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.82 5.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -153.58 166.88 31.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.31 173.71 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -177.55 170.38 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.51 168.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.71 173.1 2.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -176.63 169.96 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -176.31 155.93 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.5 p -167.25 167.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -177.67 172.06 44.73 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 175.96 129.25 1.2 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.5 p 177.83 161.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -164.03 -153.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.44 172.76 21.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.6 t -101.49 107.53 51.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.97 1.19 8.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -70.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.514 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 18.6 p -77.66 -29.45 51.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 108.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.61 22.94 27.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.55 135.98 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -49.88 152.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.84 HG22 ' CD2' ' A' ' 139' ' ' HIS . 88.0 t -133.24 123.69 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -166.39 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 128' ' ' ALA . . . -110.21 119.78 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.31 132.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.11 54.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -122.18 112.93 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -133.06 148.44 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -128.52 115.09 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.62 149.96 22.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.554 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 49.44 49.03 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.0 36.63 21.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.5 OUTLIER -141.37 163.77 32.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.435 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 2.1 p -123.96 139.57 53.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.984 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -163.48 174.85 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.84 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.7 m80 -78.07 121.44 24.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -48.12 -23.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -71.6 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.64 -45.19 93.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.152 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.4 t80 -46.09 98.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 8.5 ptt85 -140.97 156.13 46.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.3 t -52.33 127.95 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.43 35.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -46.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.04 -21.46 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.46 19.52 64.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.29 118.16 24.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 79.1 p -55.85 140.02 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.43 -173.92 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.15 -49.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t 179.38 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.041 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.0 m -84.71 160.21 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 156' ' ' THR . 19.9 m 62.81 25.43 15.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -116.45 132.9 56.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.826 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -94.79 142.74 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.554 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -130.18 98.82 4.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 78.51 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.64 -77.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -115.99 -27.21 3.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.8 mp0 -77.3 156.92 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.152 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.9 pt -133.21 139.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 45.8 m-85 -148.95 -174.39 4.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.7 p -100.94 143.02 31.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -46.16 -40.64 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.47 -30.93 59.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 10.2 m -83.8 -49.06 9.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.3 t80 -54.87 -30.88 58.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.18 -63.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 7.0 mmtm -48.34 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.3 t30 -39.67 -30.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -115.02 54.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -100.98 -145.48 17.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.24 156.93 47.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 177.12 -163.19 31.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -112.65 132.45 55.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.8 -161.29 12.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -135.86 -52.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 108.78 65.68 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -59.27 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -108.1 154.8 16.45 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -145.34 78.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -170.16 74.41 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -78.45 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 3.8 tp -149.03 127.13 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tt -104.97 155.33 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -110.39 138.96 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.72 108.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.7 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.49 0.186 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.98 179.55 5.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -141.88 167.71 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -161.47 162.11 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.056 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.74 19.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.06 -171.95 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 -164.36 33.69 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.29 170.34 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.58 115.2 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 43.1 t -69.91 107.76 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.67 1.07 63.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.9 t -92.74 -72.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.631 ' N ' HG12 ' A' ' 12' ' ' VAL . 15.1 p -72.84 -27.22 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 88.16 21.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -102.65 -175.57 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.88 125.85 54.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.053 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.3 t -94.47 118.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -97.17 -62.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.73 104.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.52 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 32' ' ' LYS . 6.3 pt-20 -169.1 61.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.02 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 35' ' ' PHE . 48.1 t -118.35 117.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 1.7 pp0? -101.93 140.44 36.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.88 134.56 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.1 105.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.39 -56.28 0.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.592 1.182 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -153.62 171.65 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 90.0 p -135.61 140.27 44.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.673 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -136.93 166.74 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.053 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -65.11 140.2 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -40.25 -54.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -44.14 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.766 ' HB3' HG11 ' A' ' 12' ' ' VAL . 72.6 m -59.19 -45.24 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.83 ' HE1' HG21 ' A' ' 49' ' ' VAL . 7.3 t80 -61.8 88.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -139.39 134.06 31.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.6 t -44.53 112.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.57 6.31 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 57' ' ' TYR . 54.4 t -101.73 -72.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.1 p -73.39 -25.04 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 tptm 83.34 24.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.49 136.89 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.6 p-10 -45.45 145.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.5 mt -128.0 156.28 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.4 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -75.54 60.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 48' ' ' THR . 2.3 m -158.47 126.13 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 47' ' ' THR . 9.4 t 45.41 38.13 3.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG21 ' HE1' ' A' ' 35' ' ' PHE . 4.1 p -110.2 156.01 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -142.54 164.23 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.1 t -121.88 157.21 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 177.49 153.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 45.11 55.2 6.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER 39.35 43.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -149.63 173.9 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -114.93 137.54 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.881 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.1 m-85 -143.46 141.9 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.779 ' HB3' HD21 ' A' ' 44' ' ' LEU . 30.0 p -71.02 146.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -38.13 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 48.1 m -32.73 -69.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' LYS . 38.7 m -41.78 -54.07 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.22 -56.02 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.62 -18.25 67.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -76.0 -50.65 14.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.81 -48.16 75.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.2 m-85 -65.73 -48.55 71.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.57 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 162.03 34.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -175.8 172.7 45.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' GLY . 3.3 tttm -175.15 145.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . . . -164.43 171.19 39.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -168.3 172.18 8.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . -153.49 -177.41 26.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.0 ttp -177.07 163.68 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.0 170.59 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.27 173.15 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.32 144.83 4.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.9 t -167.09 140.93 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mp -136.1 176.3 8.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.4 p -178.4 148.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -171.99 156.49 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -173.11 143.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 167.15 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.85 142.67 4.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.43 154.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.49 141.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.662 HD13 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -177.2 145.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.662 ' H ' HD13 ' A' ' 88' ' ' LEU . . . 166.85 135.46 1.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 89' ' ' GLY . 4.8 mp -143.98 140.44 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -160.02 161.37 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -170.48 148.61 3.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.56 165.46 14.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.98 167.85 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.02 160.12 32.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -148.99 137.61 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 147.9 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.56 173.57 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.37 88.33 0.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -144.34 142.58 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -147.11 132.66 9.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.34 7.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -169.72 120.39 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.0 140.84 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -159.85 150.53 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.84 148.59 28.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtp -118.0 149.13 41.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -154.37 118.87 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -167.0 116.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.71 142.4 45.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.19 147.89 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.43 158.18 30.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -163.18 94.73 0.12 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 178.68 170.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 109.972 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER -178.26 171.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -95.28 170.17 28.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.4 t -96.91 109.97 51.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.577 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -93.17 -69.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -81.81 -35.21 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.64 -27.4 10.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.09 143.32 48.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -64.12 157.27 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.831 HG22 ' NE2' ' A' ' 139' ' ' HIS . 57.5 t -131.52 116.04 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 127' ' ' ALA . 20.5 p90 -154.26 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 126' ' ' TYR . . . -85.56 -168.52 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.22 156.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 69.13 54.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.53 ' CG ' HG12 ' A' ' 125' ' ' VAL . 17.2 ttpt -130.87 132.88 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.987 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.23 147.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 90.3 mt -126.78 115.86 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.34 154.98 25.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.83 49.26 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.65 40.47 11.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.56 165.58 29.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.96 138.03 54.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.987 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.98 172.53 18.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.831 ' NE2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -79.4 119.98 23.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -43.77 -27.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -68.38 -55.12 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 144' ' ' ARG . 4.7 m -67.35 -56.95 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.1 t80 -34.53 95.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -133.93 148.54 51.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.608 ' HB2' HD21 ' A' ' 152' ' ' LEU . 33.0 t -54.97 129.08 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -136.12 -47.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.64 -21.47 12.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.16 76.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.36 156.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 p -90.15 133.82 34.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -103.07 -175.0 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.3 52.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.582 ' O ' HD23 ' A' ' 157' ' ' LEU . 0.2 OUTLIER 76.14 -57.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 15.0 t -80.42 159.44 25.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 156' ' ' THR . 60.5 m 54.43 32.14 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -114.05 160.74 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.82 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -136.46 124.25 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 3.2 p-10 -104.1 102.04 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.99 90.93 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.9 t70 39.63 64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.37 -50.89 1.62 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.7 mp0 -54.9 156.33 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.614 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.6 pt -133.08 129.71 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 58.8 m-85 -141.74 -174.5 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -99.64 147.53 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -42.32 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -57.07 -30.76 60.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.3 m -82.2 -47.57 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.468 ' HB2' ' CB ' ' A' ' 158' ' ' ALA . 2.3 t80 -57.11 -31.71 65.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -86.75 -64.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 10.3 mmtp -48.63 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 5.0 t30 -39.04 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' N ' ' C ' ' A' ' 172' ' ' LYS . 76.6 m-85 -118.02 56.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -161.0 -163.71 14.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.65 39.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.99 168.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 174.48 -88.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 53.06 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -87.22 -86.95 1.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.5 t80 53.17 100.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -171.47 79.78 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -125.52 151.84 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -99.72 -160.1 28.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -171.57 107.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -111.71 153.12 17.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.93 -61.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.93 149.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.7 tt -159.21 155.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 64.8 123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.63 116.53 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.98 109.01 2.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 154.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.52 -63.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 107.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.9 -126.88 9.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.77 -173.43 23.6 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA2' ' CD2' ' A' ' 19' ' ' PHE . . . 175.99 -173.94 46.59 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -102.74 177.09 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.78 112.7 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.6 t -80.64 106.48 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.92 5.77 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.747 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.13 -66.19 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.1 p -83.04 -22.24 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 83.76 28.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -116.24 145.74 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.68 126.48 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.6 t -76.68 123.92 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 46.2 p90 -81.4 48.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 1.2 m-85 46.32 86.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . . . -148.04 -53.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' GLU . 72.9 mm-40 -129.71 -53.8 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' GLU . 4.1 pm0 35.97 69.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.2 t -64.95 117.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -84.29 159.06 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.72 167.13 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.91 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.49 55.69 2.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -179.42 171.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 78.4 p -169.58 133.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.97 168.08 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.721 ' NE2' HG22 ' A' ' 17' ' ' VAL . 76.9 m80 -63.69 160.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -34.15 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.11 -47.19 86.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.81 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.8 t80 -66.73 85.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.2 tt -139.58 133.85 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 49.9 t -46.96 112.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.14 6.85 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.946 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.5 t -101.78 -70.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.2 p -75.57 -23.41 56.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER 82.99 23.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 130.95 52.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.58 144.98 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 58' ' ' CYS . 18.8 mt -121.58 92.63 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.72 61.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.2 p -174.94 173.59 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 p -66.92 -161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 p 53.32 22.66 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.81 HG21 ' HE1' ' A' ' 35' ' ' PHE . 8.4 p -101.94 150.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.8 165.56 20.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.6 t -118.82 174.13 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.7 t-80 -164.88 168.57 17.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.57 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.19 103.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 40.5 57.2 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -174.28 163.62 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.782 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -131.62 140.73 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.946 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.6 m-85 -143.68 143.4 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.882 ' HB3' HD21 ' A' ' 44' ' ' LEU . 29.0 p -73.07 150.27 42.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -39.51 -72.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 59' ' ' LYS . 38.7 t -32.28 -68.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' SER . 23.0 m -40.64 -54.25 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 4.5 t80 -49.32 -52.13 29.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.03 -17.87 63.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -77.98 -53.36 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.784 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -65.13 -48.64 72.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.533 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 8.7 m-85 -67.4 -49.66 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -39.7 160.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.79 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -104.98 -63.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.71 -161.85 32.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -97.65 176.14 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.85 -140.16 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.43 -147.23 8.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -164.7 169.83 16.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.65 -171.51 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.97 175.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.7 151.16 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -172.53 155.51 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 tp -172.14 147.52 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 t -169.17 143.33 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -172.58 151.98 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 179.56 140.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.89 162.16 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.33 113.98 2.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.19 126.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.3 p -179.44 137.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.39 150.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.237 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.532 ' N ' HD22 ' A' ' 88' ' ' LEU . . . 175.03 160.85 23.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tt -173.6 154.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -163.7 158.65 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -167.01 168.16 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.76 171.06 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.26 170.64 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.58 -154.46 9.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 164.68 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -132.97 169.8 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -132.27 174.54 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.16 121.04 8.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.8 t -117.15 154.61 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t30 -119.25 145.14 37.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.3 Cg_endo -74.99 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.561 1.821 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -120.59 165.73 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.24 175.35 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -115.73 169.24 9.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.15 167.49 22.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 170.44 8.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.78 163.43 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.14 141.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.8 131.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.04 172.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.18 -164.18 11.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.69 -129.09 2.9 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 p 56.98 164.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 4.1 m-20 -153.06 -161.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.56 171.6 21.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -99.39 108.5 50.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -74.99 -5.96 17.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -82.97 -65.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.8 p -81.09 -42.82 20.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.66 -25.14 6.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.59 163.82 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.902 HG22 ' CD2' ' A' ' 139' ' ' HIS . 82.0 t -136.43 127.8 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -167.13 89.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . 64.25 170.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 78.11 -55.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -148.79 53.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 7.5 tttm -110.27 127.05 54.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -127.03 144.38 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -122.48 115.85 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -152.97 156.61 26.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.27 35.77 11.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.9 42.42 94.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 165.17 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.621 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 6.3 p -115.48 148.39 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.31 173.23 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.4 m80 -75.09 128.06 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -18.7 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.8 p -83.28 -51.4 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' ARG . 18.5 m -67.37 -57.88 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.701 ' HE2' HD22 ' A' ' 157' ' ' LEU . 1.6 t80 -34.8 96.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' C ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -137.96 174.17 10.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.629 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -71.81 129.04 37.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.14 33.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -46.97 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 7.9 p -110.51 -23.87 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.15 77.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 122.61 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.8 m -53.71 150.78 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -116.1 -172.77 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.42 -67.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.77 ' HA ' HD23 ' A' ' 157' ' ' LEU . 24.7 p -168.98 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 17.4 m -73.45 -61.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 60.7 p -47.83 -24.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -71.69 166.51 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.797 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -141.09 113.34 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 10.7 p30 -89.87 105.73 18.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.87 92.42 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 41.43 59.59 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.66 -50.07 1.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -56.2 165.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 143' ' ' PHE . 14.4 pt -139.56 134.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.6 m-85 -148.15 -174.18 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.0 p -98.08 151.55 20.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -46.11 -44.21 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.22 -31.17 61.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.1 -47.2 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.561 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.9 t80 -58.5 -32.52 68.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -78.74 -62.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -60.25 2.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.49 -39.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.1 m-85 -124.39 58.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.94 161.16 30.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.3 10.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 172.68 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -139.17 151.54 21.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -75.71 157.75 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -109.52 170.56 14.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -145.07 171.12 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -142.42 -167.6 11.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.96 164.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -116.33 -157.33 11.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.05 122.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -75.01 -128.32 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.52 156.54 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -142.95 176.35 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.488 ' C ' HD12 ' A' ' 189' ' ' ILE . 2.5 pp -121.0 168.47 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 162.76 16.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.35 132.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.91 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -95.21 166.43 11.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -129.55 161.71 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.991 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.56 162.93 11.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.29 153.52 8.76 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -145.39 15.35 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 178.67 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 109.8 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 46.9 t -73.41 105.74 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.79 6.07 59.79 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.4 -66.4 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.573 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.8 p -83.73 -21.51 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 83.14 28.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.13 149.82 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 134.62 42.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.998 HG22 ' NE2' ' A' ' 31' ' ' HIS . 61.5 t -98.05 155.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 18' ' ' TYR . 22.3 p90 -122.0 56.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 77.3 t80 52.4 173.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 73.27 -61.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -74.41 -42.52 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CA ' HG11 ' A' ' 17' ' ' VAL . 1.1 pp20? -38.87 126.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' GLU . 38.5 t -123.76 117.98 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.37 129.75 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 22.4 t -142.19 133.85 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.03 102.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -55.87 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -159.17 -173.58 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.4 m -120.72 144.41 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.811 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -133.8 164.23 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.998 ' NE2' HG22 ' A' ' 17' ' ' VAL . 68.5 m80 -64.33 148.96 49.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' CB ' ' HG3' ' A' ' 21' ' ' GLU . 40.9 tttt -51.03 -52.9 38.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.25 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.14 -49.78 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.784 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -67.98 90.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -142.09 134.41 27.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.8 t -49.67 110.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.69 2.67 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 27.8 t -98.33 -75.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 11.4 p -71.52 -13.97 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt 70.46 20.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 132.3 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' CA ' HD12 ' A' ' 36' ' ' LEU . 24.9 t30 -44.57 146.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.842 HD13 ' CG2' ' A' ' 49' ' ' VAL . 7.3 mt -123.17 138.75 54.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -158.41 146.05 18.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.74 178.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 48' ' ' THR . 8.9 t -62.93 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 47' ' ' THR . 6.4 p 54.6 18.56 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.842 ' CG2' HD13 ' A' ' 44' ' ' LEU . 3.0 p -114.41 165.76 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -145.6 165.31 29.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.65 174.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -168.56 109.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.66 -112.02 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -110.78 46.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -156.61 158.52 37.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.668 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -123.05 137.18 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.2 m-85 -137.04 149.87 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.641 ' HB3' HD21 ' A' ' 44' ' ' LEU . 28.1 p -77.73 149.88 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.23 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -32.17 -68.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 21.0 m -40.58 -57.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -42.92 -55.97 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.73 64.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.9 OUTLIER -76.05 -45.11 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.5 -48.65 71.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' A' ' 52' ' ' HIS . 16.3 m-85 -66.96 -49.66 64.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.59 159.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.92 158.81 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.77 -160.33 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -168.9 176.51 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.67 164.93 37.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 176.81 1.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.09 166.36 30.62 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.5 ttt -178.12 151.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.86 -163.76 10.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.06 175.73 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.76 175.17 43.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -154.46 160.46 41.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.82 174.69 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 t -170.28 153.46 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -163.63 138.94 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -145.47 163.15 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 176.58 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.84 156.5 18.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 179.41 159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -178.31 169.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.7 166.58 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.14 173.46 40.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.9 151.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.06 174.64 11.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -168.66 160.79 10.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.07 171.16 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -153.39 171.36 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.0 -164.4 11.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -174.39 171.22 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.38 153.96 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 174.54 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.51 149.27 59.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -126.66 178.64 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -132.09 132.71 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -139.2 167.71 21.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.77 175.93 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 170.43 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.19 157.28 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 mtp -127.62 170.6 12.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.49 175.98 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -138.2 171.16 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -140.86 176.59 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.2 p -158.08 168.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.433 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -145.43 -170.76 14.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -117.56 151.32 18.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.2 p -178.9 166.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 -151.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.04 171.5 23.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.7 t -100.94 107.79 51.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.05 -1.71 11.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 16.2 p -78.12 -34.76 49.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.07 21.89 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -110.63 135.01 51.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -41.88 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.918 HG22 ' CD2' ' A' ' 139' ' ' HIS . 39.8 t -130.84 118.84 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -136.06 -165.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -56.0 109.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 164.45 -69.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.34 44.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -126.92 149.09 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 137' ' ' SER . 13.9 mm -126.12 116.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.46 153.54 24.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 159' ' ' ASP . . . 49.57 42.91 23.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.19 41.14 53.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -152.37 169.76 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 17.5 p -120.82 149.24 42.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.019 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.12 176.69 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.918 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.2 m80 -76.69 128.77 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.0 -13.3 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 143' ' ' PHE . 6.4 m -70.82 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.105 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -30.02 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.95 144.29 31.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 38.0 t -42.92 125.42 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.06 34.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 -46.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.6 -23.27 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.05 54.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.09 121.79 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.2 t -61.29 134.42 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.27 -174.85 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 131' ' ' VAL . 20.4 tt0 -141.72 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -160.17 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.3 t -87.79 168.33 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.8 HG23 ' HD3' ' A' ' 167' ' ' LYS . 22.9 m 63.39 21.75 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -111.51 150.18 30.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.924 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -124.04 151.76 43.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 134' ' ' ALA . 11.3 p-10 -129.46 105.21 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.33 92.96 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 23.5 t0 38.56 65.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.27 -51.57 1.62 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 9.2 mp0 -54.37 157.19 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.105 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.6 pt -134.19 133.95 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 57.2 m-85 -144.85 -174.61 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.6 p -97.21 151.32 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.8 ' HD3' HG23 ' A' ' 156' ' ' THR . 21.7 pttm -46.77 -43.48 18.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.21 -29.32 62.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.5 m -80.99 -47.58 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.59 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -58.92 -33.31 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.77 -62.71 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 17.0 mttt -47.39 -61.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 21.8 m-20 -39.09 -38.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -123.2 61.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -158.0 -145.41 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.64 8.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.72 121.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -91.31 174.93 38.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.51 168.67 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.31 157.36 29.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -110.46 167.72 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 147.56 89.48 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.82 162.2 6.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 172.49 152.5 8.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.21 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 102.85 73.99 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.96 -61.11 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.356 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.562 ' H ' HD12 ' A' ' 188' ' ' LEU . 4.9 mp -53.1 157.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.759 ' H ' HD13 ' A' ' 189' ' ' ILE . 0.2 OUTLIER -127.99 145.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -46.0 166.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.594 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 60.6 p -114.11 87.14 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.493 0.187 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 179.76 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.45 144.83 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -179.32 161.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.022 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.98 158.65 8.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.75 163.06 12.21 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.81 154.13 7.84 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -107.09 -179.09 3.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -125.39 120.65 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.5 t -74.88 107.76 7.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.06 3.48 61.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.6 t -94.92 -69.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.618 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.04 -24.54 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 6.2 tp60 84.35 26.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -117.93 144.68 45.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 136.27 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.052 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.4 t -103.54 120.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 55.5 p90 -73.31 124.81 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -39.28 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 18' ' ' TYR . . . -176.17 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -112.79 -76.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 41.85 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 32' ' ' LYS . 70.3 t -69.73 117.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 161.59 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.61 72.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.45 -80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.16 -25.54 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -88.66 173.17 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.71 128.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.1 m-85 -144.86 170.5 16.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.052 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.6 m80 -63.7 157.88 23.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.19 -38.46 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -91.82 30.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' HB3' HG11 ' A' ' 12' ' ' VAL . 57.3 m -131.84 23.25 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.799 ' HE1' HG21 ' A' ' 49' ' ' VAL . 2.4 t80 -127.45 76.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.4 tt -139.77 134.33 31.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -47.77 112.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.454 ' CB ' ' HG2' ' A' ' 55' ' ' GLU . 2.0 mpp? -79.27 8.19 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.7 t -102.7 -68.67 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.4 p -78.37 -24.21 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 1.7 tttt 84.82 23.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 127.92 51.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' CA ' HD12 ' A' ' 36' ' ' LEU . 19.2 p30 -52.31 146.66 9.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 36.3 mt -120.86 105.09 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.04 56.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -177.17 169.07 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 t -59.0 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 48' ' ' THR . 1.9 m 63.51 12.09 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 13.9 p -93.65 146.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -125.73 165.46 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.3 t -120.05 173.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' H ' HG12 ' A' ' 51' ' ' VAL . 70.5 t60 -170.56 101.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.37 -106.93 0.42 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.9 42.44 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -156.1 158.63 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -121.26 140.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.9 m-85 -140.66 134.71 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.8 p -65.56 151.52 46.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.92 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . 2.2 m -31.9 -69.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 54.9 m -41.72 -58.72 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -44.29 -50.8 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.66 -21.13 70.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -76.8 -52.34 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 66' ' ' TYR . 11.0 ptmm? -60.28 -44.32 95.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 9.6 m-85 -69.66 -50.34 44.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.24 158.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.99 5.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 170.93 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.89 -169.88 34.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.83 176.69 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.38 39.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.15 172.84 16.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.88 155.68 11.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.12 163.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.46 154.47 13.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.5 166.19 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -157.55 169.52 34.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -154.68 164.34 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 80' ' ' LEU . 1.1 pt? -165.54 162.18 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.97 160.61 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -149.94 159.96 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.34 158.26 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 164.04 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.61 162.49 11.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -171.14 157.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.8 m -159.46 157.69 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.6 162.2 39.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.38 140.41 2.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -172.55 146.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 145.34 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.7 152.99 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -179.62 136.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.25 158.87 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.8 157.82 19.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -177.76 157.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.12 160.11 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.75 166.3 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -166.36 86.01 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.96 17.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -172.34 158.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.87 99.83 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.25 4.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.34 152.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.95 157.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.1 m -161.82 156.61 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.3 142.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 ttt -179.48 137.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.89 147.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.38 159.33 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 158.22 3.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.87 144.0 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.87 -143.87 15.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.18 100.81 0.93 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 p -178.41 170.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.1 OUTLIER 178.86 171.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -93.65 169.85 30.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 31.6 t -97.63 110.5 55.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.38 7.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 8.9 tpm_? -97.76 -71.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.535 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -76.82 -30.23 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.247 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.98 -23.51 33.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.99 144.08 57.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.44 152.55 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.852 HG22 ' CD2' ' A' ' 139' ' ' HIS . 65.4 t -125.7 116.14 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.501 ' O ' ' CD ' ' A' ' 130' ' ' LYS . 29.7 p90 -121.06 -165.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.466 ' N ' ' HZ1' ' A' ' 130' ' ' LYS . . . -39.71 135.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 67.62 133.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER 72.16 58.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.75 ' HG2' HG12 ' A' ' 125' ' ' VAL . 10.2 mtpt -134.05 138.57 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.039 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.1 p -136.28 143.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.2 mp -123.44 115.96 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.77 142.77 10.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.67 48.52 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.7 36.66 25.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.058 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -141.4 161.67 37.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 97.5 p -117.54 147.17 43.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.039 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -162.32 173.04 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.852 ' CD2' HG22 ' A' ' 125' ' ' VAL . 60.0 m80 -70.17 120.41 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 141' ' ' SER . 26.6 tttt -66.09 76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER 155.48 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -91.04 -24.85 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.48 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -105.9 136.63 45.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 33.6 t -64.57 128.56 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.94 35.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -136.82 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.9 p -109.85 -19.32 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.34 80.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -75.96 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.6 p -96.09 140.72 30.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -173.65 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -143.25 -74.81 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.88 85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 156' ' ' THR . 2.7 t -163.92 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 47.3 p -138.61 56.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -97.78 123.73 41.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.648 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -86.71 152.43 22.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.707 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 5.8 p30 -135.51 104.3 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -98.17 91.05 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.5 OUTLIER 38.75 76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.02 -47.95 3.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.4 mm-40 -59.25 152.3 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.911 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.76 135.67 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.7 m-85 -146.58 -175.91 4.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.68 142.57 27.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -46.45 -39.49 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.61 65.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -80.63 -47.6 13.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.529 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.8 t80 -58.56 -32.51 68.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -83.01 -64.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.8 mtpp -47.44 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.555 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 52.3 t-20 -38.52 -37.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.555 ' CE1' ' CG ' ' A' ' 173' ' ' ASN . 1.6 m-85 -122.27 58.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 169.82 81.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -87.05 138.73 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.74 -82.72 0.83 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.54 171.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 164.09 147.81 5.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.05 123.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -158.25 94.66 0.14 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.4 110.24 21.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.85 115.9 0.85 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -124.44 -61.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.77 97.42 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -76.02 121.45 22.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.05 103.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.6 tt -78.61 148.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 144.12 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.92 97.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.32 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -134.21 150.16 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -157.45 126.21 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.49 164.19 34.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.91 174.37 40.01 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.555 ' HA3' ' CD2' ' A' ' 18' ' ' TYR . . . -90.88 -127.2 3.6 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.1 169.68 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 113.62 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.5 t -63.73 106.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.95 4.63 60.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.56 -68.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.19 -24.79 40.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.3 tt0 86.46 28.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.5 145.23 44.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.37 137.74 46.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.021 HG22 ' NE2' ' A' ' 31' ' ' HIS . 3.7 t -116.91 145.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.555 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -178.77 121.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' TYR . 1.2 t80 76.72 -52.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' PHE . . . -38.4 -61.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.15 -68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 64.0 116.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.8 t -115.44 117.81 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.64 125.15 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -133.09 147.68 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 108.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -59.73 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.916 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.26 -28.55 27.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER 163.21 -176.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.998 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -113.77 130.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -139.6 172.06 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.021 ' NE2' HG22 ' A' ' 17' ' ' VAL . 51.9 m80 -63.73 169.88 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -69.34 -42.66 75.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -38.45 69.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.652 ' HB3' HG11 ' A' ' 12' ' ' VAL . 64.6 m -57.47 -40.31 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 108.243 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 t80 -68.78 73.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CA ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -139.23 134.09 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -46.23 112.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.22 8.95 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.933 HG23 ' CD1' ' A' ' 57' ' ' TYR . 45.8 t -104.01 -68.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -78.94 -24.66 43.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 17.3 ttpt 85.33 23.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -102.62 127.06 49.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.715 ' CA ' HD12 ' A' ' 36' ' ' LEU . 5.4 t30 -52.47 145.93 10.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.103 HD13 HG23 ' A' ' 49' ' ' VAL . 44.1 mt -120.0 140.31 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 6.9 t70 -157.9 103.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.1 t 38.96 65.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.966 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.1 m -156.42 87.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 48' ' ' THR . 3.6 t 36.48 43.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.103 HG23 HD13 ' A' ' 44' ' ' LEU . 7.1 p -84.81 146.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -127.44 165.33 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.916 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.91 156.81 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -161.82 121.18 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.38 -108.67 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -120.94 50.7 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.4 OUTLIER -164.75 160.23 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -114.11 144.31 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.933 ' CD1' HG23 ' A' ' 39' ' ' VAL . 20.6 m-85 -145.72 132.98 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.2 p -66.08 150.42 48.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -39.48 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -31.7 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 35.8 m -41.0 -54.78 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.2 t80 -48.69 -51.76 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.98 64.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 -53.32 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -65.0 -48.32 74.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 11.0 m-85 -67.46 -49.15 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.57 170.24 2.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.23 40.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 154.04 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.02 -159.93 5.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -161.14 161.62 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.63 -146.09 9.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.98 163.61 32.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 -154.02 22.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.83 163.67 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.97 -144.65 13.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.49 176.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.5 -174.49 13.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -139.39 169.7 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.02 171.03 18.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.4 p -173.03 168.57 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -170.64 145.16 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -145.32 146.06 31.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -174.88 143.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.14 147.81 5.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.37 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t 177.92 145.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tp -177.17 158.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.28 106.37 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.27 157.78 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 131.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -173.52 118.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -177.5 132.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -177.32 146.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.31 151.53 6.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.13 145.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -178.39 130.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -174.06 138.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.77 86.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.45 18.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -142.41 178.45 7.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 p30 175.1 99.82 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.96 5.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.76 166.57 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.7 175.61 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.29 169.64 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 168.19 20.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.82 169.76 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -137.61 175.57 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.41 170.98 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 176.39 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.445 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.6 p -141.53 168.56 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -109.74 -157.55 17.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.5 158.3 14.39 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 p -177.45 142.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.63 -153.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -133.61 170.8 22.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -101.41 107.97 53.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -74.96 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -95.19 -71.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.9 p -75.8 -29.19 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 108.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.08 23.13 30.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.12 134.88 53.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -48.13 151.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 139' ' ' HIS . 76.4 t -129.58 123.37 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.2 t80 178.74 131.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 64.17 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.67 134.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 66.16 50.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.718 ' HG3' HG12 ' A' ' 125' ' ' VAL . 1.4 tttt -129.58 123.83 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.2 p -128.08 147.73 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.6 mm -127.11 115.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.03 145.1 14.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.27 58.64 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.64 36.45 1.65 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.62 164.83 29.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 29.9 t -123.33 149.78 44.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.042 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.63 176.83 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.768 ' CD2' HG22 ' A' ' 125' ' ' VAL . 39.9 m80 -77.98 134.8 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.602 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.87 60.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.9 t -175.39 -59.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ARG . 29.0 p -56.13 -35.16 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.57 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' CYS . 20.6 mtt180 -101.97 154.24 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.472 ' HB2' HD21 ' A' ' 152' ' ' LEU . 44.3 t -78.93 128.03 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.58 33.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.55 -46.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.2 p -110.65 -17.62 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.61 -9.67 61.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -49.78 163.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.16 124.68 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -95.71 -174.5 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -165.24 61.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.4 ' OG ' ' CG2' ' A' ' 131' ' ' VAL . 0.5 OUTLIER 47.37 67.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.0 t -167.2 126.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.485 ' HB ' ' CD ' ' A' ' 167' ' ' LYS . 52.2 p 40.12 55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -97.38 138.09 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.869 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.42 148.94 25.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.679 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.2 p30 -133.57 103.58 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.44 89.66 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.3 OUTLIER 39.49 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.3 -46.23 3.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 63.0 mm-40 -61.02 151.67 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.803 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.9 pt -130.17 137.07 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 147' ' ' LYS . 46.1 m-85 -147.95 -177.15 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.7 p -96.9 144.32 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.485 ' CD ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.93 -40.81 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 172' ' ' LYS . . . -56.55 -32.41 61.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 166' ' ' CYS . 7.7 m -81.1 -49.0 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 2.8 t80 -55.35 -31.03 61.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.19 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 168' ' ' GLY . 6.8 mmpt? -48.36 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 33.2 t30 -40.64 -29.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 22.9 m-85 -113.26 55.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 172.68 69.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -179.87 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.759 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.53 108.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -95.13 155.98 21.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -175.55 139.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 0.8 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.8 157.44 27.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -175.59 125.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -113.21 -177.74 19.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -160.73 154.45 22.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -150.98 144.75 12.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -163.49 166.11 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 176.64 167.68 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -166.37 117.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.68 130.15 20.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.98 143.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.62 168.54 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.01 116.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.68 108.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CG ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -179.63 160.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 4' ' ' TRP . . . 128.65 143.64 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.36 147.07 7.08 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 142.3 4.08 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.86 177.91 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.06 116.77 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -77.95 107.42 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.5 60.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -96.48 -67.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.61 -23.76 39.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.0 tp60 84.51 28.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -119.56 145.9 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 147.17 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.059 HG22 ' NE2' ' A' ' 31' ' ' HIS . 72.4 t -113.8 154.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' PHE . 51.2 p90 -137.71 138.66 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' TYR . 2.0 t80 -37.69 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.65 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -147.12 51.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.65 131.05 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 32.2 t -120.08 118.04 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -92.43 129.65 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 139.19 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.02 107.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.26 -55.92 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.04 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -112.96 129.34 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -116.07 164.04 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.059 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -63.76 147.21 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -46.9 -56.12 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -61.67 -37.6 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -58.08 -42.86 86.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.82 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.0 t80 -70.97 72.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.826 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -131.86 131.45 42.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HA ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -42.64 112.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.13 6.71 6.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.924 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.2 t -102.35 -72.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -73.07 -25.23 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' LEU . 3.4 ttmt 83.58 24.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -105.83 135.97 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -48.06 141.4 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD21 ' HB3' ' A' ' 58' ' ' CYS . 7.6 mt -116.01 153.92 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.36 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.489 ' C ' HG23 ' A' ' 47' ' ' THR . 27.9 t 63.86 -97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 46' ' ' SER . 64.4 p -154.6 -162.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 p 53.33 19.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' HE1' ' A' ' 35' ' ' PHE . 15.0 p -96.14 146.85 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 62' ' ' TYR . . . -128.13 164.15 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.31 172.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' H ' HG12 ' A' ' 51' ' ' VAL . 27.1 t-80 -158.72 71.51 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 37.36 83.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 7.7 t70 87.01 -46.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -75.44 160.59 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.826 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.23 135.44 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.924 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -143.61 150.12 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.929 ' HB3' HD21 ' A' ' 44' ' ' LEU . 18.4 p -86.83 134.11 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -39.7 -63.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 59' ' ' LYS . 33.1 t -32.19 -50.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -62.09 -59.22 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CD1' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -42.41 -56.37 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.17 -29.63 73.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -48.44 68.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -51.49 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.683 ' CE2' ' CD1' ' A' ' 62' ' ' TYR . 23.7 m-85 -59.09 -32.7 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.86 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -167.18 175.94 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.37 46.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 176.32 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.95 176.8 46.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -176.82 176.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.764 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.91 -178.86 45.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 168.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.45 36.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.37 175.31 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.06 -175.12 28.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -172.33 145.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.405 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.99 174.26 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 p -178.67 168.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -172.26 161.2 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -179.22 167.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.02 158.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.36 167.19 39.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.3 167.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p 178.84 168.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.46 175.47 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.67 159.63 20.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 pt -137.05 176.48 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.17 158.51 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.3 163.3 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -179.82 158.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -172.97 164.21 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.29 167.09 31.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 171.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.97 169.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.42 174.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.85 94.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -172.03 162.69 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 177.9 124.03 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.89 165.54 25.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.18 175.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 p -178.73 169.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.6 167.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 169.17 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -163.17 174.85 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.58 169.16 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -143.27 175.75 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.7 p -172.54 167.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -144.6 -156.22 6.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.71 155.88 17.52 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -178.18 159.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.1 -155.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -132.86 172.08 21.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 37.6 t -98.42 109.34 52.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.449 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.0 Cg_endo -75.05 -1.17 10.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -92.63 -70.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 26.4 p -80.02 -34.23 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.361 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.4 -28.04 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.94 140.64 51.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.49 162.27 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.853 HG22 ' CD2' ' A' ' 139' ' ' HIS . 95.4 t -135.37 122.22 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -163.47 -53.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.08 -167.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.22 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 73.04 57.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.79 136.42 50.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -138.92 149.69 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.06 116.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.71 152.4 24.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.36 54.54 9.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.25 38.09 3.56 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.88 171.22 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.449 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 1.5 p -130.8 140.28 50.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.954 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.35 174.74 13.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 107.968 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.853 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.1 m80 -76.19 128.05 34.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.564 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -56.12 -18.16 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -52.8 7.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.3 m -68.59 -58.28 4.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.133 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.65 97.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 151' ' ' SER . 16.9 mtt180 -134.15 143.22 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 24.2 t -48.8 128.8 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -86.61 35.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.3 -27.15 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.24 22.56 44.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 134.16 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -72.33 129.27 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -173.48 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 131' ' ' VAL . 2.1 pp20? -168.73 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.71 78.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 156' ' ' THR . 1.7 t -139.63 -57.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 156' ' ' THR . 5.1 t -176.19 78.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 158' ' ' ALA . 1.1 pp -100.36 -178.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.917 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.49 114.67 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -101.01 94.21 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.1 OUTLIER -80.62 76.4 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.5 t0 66.66 -68.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -125.21 -29.78 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 4.4 mp0 -75.03 158.52 33.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.133 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.3 pt -132.16 137.91 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 49.2 m-85 -148.65 -173.62 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.8 p -101.9 140.66 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -39.35 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.24 -30.95 65.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.5 m -81.99 -48.46 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.496 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.28 -31.98 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.85 -64.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.4 mtmt -47.07 -63.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 172' ' ' LYS . 39.3 t-20 -38.39 -38.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.7 m-85 -121.16 58.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.73 -145.51 12.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 135.7 29.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -168.47 146.64 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -175.71 118.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -97.43 168.21 23.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -52.88 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 102.21 -135.88 12.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -123.51 165.53 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -137.32 177.74 19.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 52.64 175.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.75 -59.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -85.91 175.0 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.79 79.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 190' ' ' HIS . 42.0 pt -108.53 128.58 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -39.33 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 12.2 p -58.14 124.25 18.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.501 0.191 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 172.52 16.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -154.34 131.45 11.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.78 145.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.97 163.38 11.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.74 163.01 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.74 -105.89 1.82 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 mttt -105.25 -179.6 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -133.77 117.19 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 45.2 t -78.52 107.31 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.94 7.42 55.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -98.37 -66.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.524 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.2 p -82.14 -23.69 35.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tt0 84.47 28.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 149.62 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 153.85 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 31' ' ' HIS . 96.9 t -117.67 157.12 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -164.71 179.9 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.68 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.55 -17.44 62.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 23' ' ' VAL . 11.8 pt-20 -56.91 -33.26 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.12 125.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.859 HG11 ' CD2' ' A' ' 35' ' ' PHE . 73.3 t -109.82 116.83 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 7.3 pt20 -100.48 166.53 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.555 ' HB3' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -170.22 159.17 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.33 117.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.15 51.79 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 166.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 81.1 p 178.65 132.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -135.9 179.72 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 17' ' ' VAL . 49.4 m80 -72.18 160.88 31.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CD ' ' HB2' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -59.76 -46.0 90.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -68.72 -31.68 70.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.28 -52.98 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.344 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.859 ' CD2' HG11 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -39.47 99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -157.73 147.51 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 49.3 t -67.09 114.39 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 7.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.3 t -101.85 -67.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.6 p -79.4 -23.33 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.0 24.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -100.69 129.81 46.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.9 m120 -41.11 148.62 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.946 HD22 HG23 ' A' ' 49' ' ' VAL . 12.5 mt -114.33 143.95 44.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.61 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.4 p -44.68 168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' THR . 8.1 t -83.42 67.98 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 59' ' ' LYS . 5.0 t -176.35 48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.946 HG23 HD22 ' A' ' 44' ' ' LEU . 5.0 p -108.68 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -165.58 163.88 19.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 25' ' ' CYS . 4.0 t -121.7 162.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -147.34 143.6 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.624 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 70.99 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 163.16 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.94 -179.34 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.824 HD11 ' CE1' ' A' ' 35' ' ' PHE . 3.2 tt -107.63 143.71 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.8 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.8 m-85 -139.93 171.2 14.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.636 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.7 p -107.15 148.64 28.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.29 -66.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 59' ' ' LYS . 35.9 t -30.26 -71.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.6 m -43.18 -55.06 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.284 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.8 t80 -44.65 -55.88 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.14 -18.17 64.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -77.41 -54.27 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.779 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 4.4 m-85 -66.46 -48.83 68.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.92 169.41 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.24 35.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 176.77 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.67 175.66 40.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -155.22 150.59 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.46 145.34 13.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.13 169.07 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.83 -125.27 2.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.62 170.7 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.77 127.52 2.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.02 167.63 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.46 145.3 10.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -171.88 142.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt -163.7 155.02 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 p -141.16 163.44 32.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.8 t -164.02 147.05 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.76 151.58 29.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.13 153.55 40.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.71 -178.77 17.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.03 171.06 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 p -132.32 156.92 45.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.061 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.538 HD13 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -136.26 144.57 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.538 ' H ' HD13 ' A' ' 88' ' ' LEU . . . -114.64 178.05 17.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.8 pt -145.26 164.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -172.93 167.77 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 49.3 m-85 -164.45 174.2 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.06 164.66 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.65 165.98 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.67 141.1 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -177.61 148.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 146.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -175.64 158.18 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.581 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.79 18.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.68 28.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -123.26 169.13 11.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -167.12 99.85 0.64 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -151.72 164.97 35.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.75 139.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -152.18 155.06 37.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -179.46 145.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.45 151.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -177.1 162.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.24 156.72 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.82 164.83 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.4 p -140.05 167.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -159.58 -172.95 27.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 128.13 176.88 14.62 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t 63.03 144.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -158.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.43 171.35 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 46.9 t -98.11 108.22 45.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.524 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -3.59 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.88 -42.56 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 121.59 -24.83 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.15 161.45 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 139' ' ' HIS . 64.3 t -133.33 116.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 9.7 p90 -160.51 128.94 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 73.29 -155.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.04 134.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.0 61.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.483 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -148.95 95.32 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -90.79 147.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.82 116.6 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.93 155.67 26.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.42 48.97 16.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.37 41.82 12.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 170.1 18.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 13.1 m -126.69 138.77 53.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.961 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.56 171.45 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -73.1 128.27 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.595 ' NZ ' HG23 ' A' ' 131' ' ' VAL . 1.4 ttmm -56.2 -17.31 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -51.33 8.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.6 m -68.73 -58.74 3.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.082 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.2 t80 -30.32 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -140.92 147.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.3 t -45.87 126.17 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.35 33.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -133.98 -46.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 16.5 p -110.22 -23.32 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.46 22.38 56.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 111.76 21.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 3.9 m -53.29 135.35 38.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -106.33 -175.69 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.0 OUTLIER 163.48 -60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.8 p -51.33 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 156' ' ' THR . 14.5 t -174.26 -142.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.949 HG23 HG23 ' A' ' 155' ' ' THR . 82.6 p 42.65 53.5 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -120.25 131.74 55.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.745 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -95.88 150.06 20.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -130.6 99.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.3 OUTLIER -96.2 89.34 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 160' ' ' LYS . 4.4 m-20 38.41 79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.51 -47.34 3.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 24.6 mt-10 -59.99 148.33 35.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.082 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -131.88 131.41 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.2 m-85 -141.28 -176.81 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 169' ' ' CYS . 20.3 p -100.77 145.59 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 108.346 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -43.09 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.469 ' O ' ' CD ' ' A' ' 172' ' ' LYS . . . -55.26 -33.01 57.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.4 m -82.03 -48.17 11.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.604 ' O ' ' CD1' ' A' ' 174' ' ' PHE . 3.8 t80 -54.77 -30.23 56.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -84.12 -60.31 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 168' ' ' GLY . 1.4 mptt -47.87 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 1.7 t30 -39.88 -29.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 170' ' ' TYR . 6.7 m-85 -113.72 55.43 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -134.93 157.33 22.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.16 40.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 -62.82 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 90.31 163.0 38.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -173.93 168.38 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 171.08 120.15 0.53 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.02 167.0 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -174.33 113.83 0.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -176.47 144.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 176.06 163.79 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -174.98 163.47 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 161.21 -167.01 35.99 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -172.25 167.91 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.33 143.19 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 189' ' ' ILE . 2.6 pp -124.77 146.83 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 147.13 39.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.69 92.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.6 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.569 0.223 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.04 -56.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 174.56 165.68 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -172.85 161.6 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.84 170.68 34.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.33 178.81 47.27 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.82 -177.51 47.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.63 177.3 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 117.13 23.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . 49.0 t -82.02 106.19 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.47 5.24 61.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.6 t -94.24 -67.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.562 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.9 p -81.45 -25.28 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 85.05 29.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 164.18 15.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.32 147.27 31.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 31' ' ' HIS . 22.2 t -122.13 165.95 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.466 ' N ' HG12 ' A' ' 17' ' ' VAL . 28.3 t80 -95.27 162.39 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 50.8 t80 -83.81 69.42 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.46 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -33.15 75.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.7 pt-20 -38.95 131.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' SER . 6.1 t -113.36 119.75 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -106.78 160.36 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -172.41 132.71 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER 60.21 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.41 28.98 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.6 m -137.34 169.09 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 89.7 p -152.15 127.3 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CD1' HG23 ' A' ' 12' ' ' VAL . 2.0 m-85 -139.95 164.11 30.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.876 ' CD2' HG22 ' A' ' 17' ' ' VAL . 78.0 m80 -50.39 160.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -78.76 55.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -173.0 -46.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.67 ' HB3' HG11 ' A' ' 12' ' ' VAL . 56.6 m -53.85 -27.98 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.367 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.859 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -62.94 79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -137.85 132.94 33.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 41.9 t -44.04 114.86 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.83 13.4 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.775 HG23 ' CD1' ' A' ' 57' ' ' TYR . 21.3 t -111.34 -71.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -76.07 -26.78 56.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.781 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.6 tttt 85.86 24.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.02 129.29 46.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.446 ' N ' HD12 ' A' ' 36' ' ' LEU . 27.3 p-10 -60.69 146.42 45.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -118.07 156.15 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 -69.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.08 115.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.67 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 8.9 t -141.27 42.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.859 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.3 p -88.36 146.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -126.72 164.12 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 ' HB2' ' A' ' 26' ' ' GLU . 4.3 t -121.21 162.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 4.6 t60 -161.82 123.26 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.3 -120.27 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.6 53.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -166.0 162.91 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.549 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -124.86 140.51 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.775 ' CD1' HG23 ' A' ' 39' ' ' VAL . 13.1 m-85 -139.67 147.48 41.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.5 p -80.77 139.14 36.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.41 -61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -34.57 -50.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 13.0 m -60.93 -55.77 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.24 -49.74 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.49 79.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -73.45 -38.45 65.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -76.8 -64.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.1 -32.3 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.62 161.65 5.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -179.22 4.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 176.77 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.74 -179.26 41.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -173.91 176.75 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.41 -174.93 36.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.23 176.68 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -159.52 -166.97 19.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.7 ttm -179.61 170.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.16 -166.22 14.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.07 175.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.28 -176.3 37.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -172.46 164.32 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 0.78 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.6 172.23 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.3 164.14 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.0 p -133.92 178.6 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -167.15 166.53 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 176.62 12.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -149.08 -162.52 10.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.85 170.9 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.3 169.68 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -168.87 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.69 179.85 41.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 tt -173.72 171.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -175.63 175.66 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.33 159.16 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.1 170.18 12.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.03 170.97 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.85 -176.39 40.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.93 171.08 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 p -172.69 169.95 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -170.35 174.66 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -166.08 148.81 6.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.43 4.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -169.01 165.6 11.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.42 99.84 0.29 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.3 p30 177.77 155.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.28 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.8 p -179.14 167.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 177.96 152.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -167.45 168.31 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.4 175.83 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 179.15 171.36 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.89 175.07 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.1 p -173.71 156.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.73 -158.51 7.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.97 131.64 1.57 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 t -179.98 139.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.7 -154.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -130.35 171.5 20.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.506 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.5 t -101.35 107.79 52.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.4 Cg_endo -74.99 0.75 8.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 21.3 p -78.3 -32.21 49.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.249 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.79 -22.89 29.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.04 140.37 58.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.67 163.35 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 72.4 t -134.61 126.85 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -131.39 179.68 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -57.87 100.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 165.41 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER -148.33 52.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -107.34 131.58 54.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.19 140.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 115.9 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.17 143.5 11.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 50.65 36.92 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.0 40.73 95.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -148.37 164.87 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.615 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.5 OUTLIER -110.26 143.14 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.24 168.14 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.4 m80 -70.87 119.55 15.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.0 OUTLIER -64.85 76.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.5 OUTLIER 156.08 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -90.0 -24.83 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.37 101.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 149' ' ' GLY . 6.4 mtm180 -117.65 149.48 40.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.9 t -65.18 129.14 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.77 34.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 -47.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.4 p -110.67 -18.57 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.444 ' O ' ' CZ ' ' A' ' 144' ' ' ARG . . . 88.14 -5.7 84.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 149' ' ' GLY . 13.6 tttt -46.7 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.56 114.27 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -112.54 169.73 8.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 154' ' ' SER . 0.1 OUTLIER 166.26 47.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 153' ' ' GLU . 3.4 t 163.56 101.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 154' ' ' SER . 20.6 m 36.64 87.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 152' ' ' LEU . 0.6 OUTLIER 177.94 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.9 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -62.64 144.17 56.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.9 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -128.88 120.8 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 5.1 p-10 -89.62 98.09 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -109.42 111.32 22.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 50.05 43.27 25.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.58 -37.54 3.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 8.1 mm-40 -59.08 160.78 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.862 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.5 pt -125.55 131.53 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 38.0 m-85 -142.24 -174.19 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 22.8 p -100.27 147.26 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.34 -43.96 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.21 -33.49 57.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.59 -46.7 16.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -57.2 -31.3 65.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -81.7 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 173' ' ' ASN . 1.8 mmmt -45.27 -58.24 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.2 m120 -38.36 -44.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 160' ' ' LYS . 2.9 m-85 -135.14 64.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -113.15 -145.87 9.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.71 43.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.01 170.32 20.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -174.63 155.56 21.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.18 160.12 43.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 181' ' ' PHE . . . -149.63 -177.68 23.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 180' ' ' GLY . 16.3 m-85 -169.31 145.97 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.971 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -104.22 -164.69 24.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -161.47 169.01 22.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -164.66 164.98 37.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -177.01 159.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 166.51 100.27 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -155.69 135.95 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.15 96.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -154.1 131.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -128.55 164.25 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.557 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.0 154.53 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 151.83 39.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -179.9 158.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -154.14 151.6 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.33 -171.44 12.19 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.98 176.96 41.23 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.04 149.23 5.03 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -113.31 173.79 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -130.83 126.68 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.2 t -83.07 108.64 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.68 4.36 60.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.145 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.765 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.64 -68.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.536 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.4 p -77.8 -23.29 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 82.75 26.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -119.67 147.71 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.9 152.6 44.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.023 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.5 t -127.99 158.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -96.37 169.17 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -83.21 81.86 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.32 -60.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 pt-20 -77.48 -35.6 53.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 -38.84 124.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' GLU . 69.8 t -116.41 118.21 58.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 26.5 mt-30 -91.19 143.08 27.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.74 135.96 25.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -39.01 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.31 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HG ' ' HE1' ' A' ' 30' ' ' PHE . 3.1 p -156.5 174.68 15.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' GLN . 85.9 p -128.29 143.25 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.765 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.3 m-85 -138.71 173.03 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.023 ' NE2' HG22 ' A' ' 17' ' ' VAL . 43.9 m80 -57.51 170.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -57.4 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -29.53 69.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.1 -40.89 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -69.51 72.03 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 56' ' ' ILE . 1.2 tt -138.62 132.2 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.658 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.2 t -44.78 113.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -80.06 8.71 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.053 HG23 ' CD1' ' A' ' 57' ' ' TYR . 53.7 t -102.33 -66.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 19.4 p -81.23 -28.04 34.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.344 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER 88.35 27.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 130.3 50.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 36' ' ' LEU . 5.1 t30 -56.27 143.93 32.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 HD11 ' A' ' 56' ' ' ILE . 44.2 mt -125.31 131.37 53.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.78 -70.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -163.5 167.46 21.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.5 OUTLIER 61.04 134.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 59' ' ' LYS . 2.1 m 83.76 -43.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.845 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.4 p -61.18 138.92 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.18 164.8 18.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.21 138.86 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -140.73 130.0 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.05 -97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -137.25 52.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -158.76 160.69 36.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.724 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.33 143.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.053 ' CD1' HG23 ' A' ' 39' ' ' VAL . 50.7 m-85 -147.79 174.56 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' LYS . 20.5 p -101.07 140.4 35.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.5 OUTLIER -36.81 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 59' ' ' LYS . 31.5 t -30.09 -70.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 64' ' ' LYS . 36.4 m -41.53 -56.08 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 2.2 t80 -45.54 -53.98 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -17.88 65.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -78.18 -53.41 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -46.6 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 10.0 m-85 -66.89 -49.59 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.78 84.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.4 42.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.1 149.38 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.04 175.0 23.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.47 147.72 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.0 170.26 35.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -174.48 121.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.79 141.66 15.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttp -172.97 120.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.52 168.31 22.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.0 138.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.1 175.67 18.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.2 m -142.31 148.58 38.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 tp -127.37 136.87 52.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.0 p -129.64 147.42 51.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.5 p -144.39 150.34 37.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.13 137.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.9 156.77 5.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.42 130.27 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.66 118.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.4 p -128.09 162.87 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.44 147.25 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.36 141.88 5.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tp -138.49 138.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -129.2 170.2 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -159.62 168.19 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.35 157.43 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.84 143.2 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -163.19 135.15 3.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.92 161.41 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.55 168.87 3.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 99' ' ' ARG . 83.4 t60 -176.92 167.13 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' N ' ' CG ' ' A' ' 98' ' ' HIS . 1.3 ptt180 -172.22 148.86 2.04 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.93 5.45 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -172.4 136.4 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -161.26 125.03 1.94 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.19 4.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.44 136.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.39 146.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.8 p -179.17 143.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.96 144.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 148.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -147.5 155.7 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 131.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.46 136.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 p -174.57 148.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.14 167.22 27.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.16 101.41 1.43 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.96 148.1 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -154.41 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.37 171.93 22.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 38.2 t -98.38 109.48 52.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.574 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -69.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.8 p -80.98 -35.17 32.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.5 -27.42 10.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.18 141.06 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -57.94 161.87 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.861 HG22 ' CD2' ' A' ' 139' ' ' HIS . 94.1 t -135.83 120.39 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.05 -53.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.0 -167.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.39 149.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.34 56.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.655 ' HG3' HG12 ' A' ' 125' ' ' VAL . 0.9 OUTLIER -126.21 93.45 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.9 p -91.83 148.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 38.7 mm -127.94 115.5 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.89 156.12 26.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.95 50.79 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.62 43.61 6.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.69 168.46 23.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 132' ' ' ILE . 12.2 t -124.6 138.93 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.943 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.25 172.15 19.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.861 ' CD2' HG22 ' A' ' 125' ' ' VAL . 37.3 m80 -75.41 125.24 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.631 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -53.1 -20.31 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 12.0 p -77.4 -46.58 22.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 143' ' ' PHE . 21.3 m -72.27 -61.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -32.67 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -134.88 145.84 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 152' ' ' LEU . 46.6 t -45.93 123.73 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 165' ' ' TYR . . . -89.25 31.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 2.7 tptp -131.15 -45.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.2 p -109.97 -22.05 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.27 19.84 61.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 114.4 25.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 59.8 p -51.01 134.08 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -99.35 -172.98 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.44 -59.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.3 t -176.47 147.37 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 156' ' ' THR . 99.2 m 64.11 172.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 155' ' ' THR . 15.1 t 46.94 30.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.676 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -112.97 133.36 54.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.619 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -96.99 100.29 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.606 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -85.68 97.31 10.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 162' ' ' GLY . 8.9 tptm -89.77 96.54 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.87 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -116.58 -31.16 1.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -75.37 162.88 28.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 0.804 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -139.82 134.23 37.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 146' ' ' ALA . 31.4 m-85 -135.34 -174.32 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 169' ' ' CYS . 19.0 p -98.36 143.45 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 -40.96 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.79 -31.28 57.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 4.9 m -82.8 -47.58 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 4.1 t80 -56.29 -30.5 62.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.17 -65.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -48.54 -67.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 29.7 t-20 -39.02 -31.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 172' ' ' LYS . 70.5 m-85 -117.52 56.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -134.73 70.54 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -63.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -163.85 113.67 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.21 136.32 48.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -141.74 163.0 26.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.54 142.77 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -121.72 -174.94 14.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.94 164.38 13.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -103.82 -65.14 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 61.31 166.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 164.24 -99.62 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.493 ' C ' HD13 ' A' ' 188' ' ' LEU . . . 63.58 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.53 ' N ' HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -154.95 56.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 51.7 mt 63.64 136.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -132.48 -62.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 1.3 m 44.33 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.533 0.206 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 178.8 6.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -116.55 167.12 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -137.93 157.53 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.96 -151.44 6.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.47 -153.36 5.91 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.87 -162.1 11.46 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -114.85 177.77 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -125.1 114.16 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HB ' ' A' ' 12' ' ' VAL . 46.4 t -73.06 107.55 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.55 5.06 61.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.671 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.56 -67.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.522 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.4 p -80.78 -23.94 38.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.253 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 85.06 27.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -118.23 144.87 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 134.55 42.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.051 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.5 t -101.17 146.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -92.55 -57.47 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER 178.81 162.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 76.07 -57.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.0 tt0 -62.93 -45.34 92.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -47.3 120.79 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 21' ' ' GLU . 43.6 t -124.24 117.78 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.82 157.02 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.573 ' SG ' HG22 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.16 83.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 38.72 62.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.37 -50.73 1.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 m -68.13 173.48 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.036 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 5.6 t -160.84 128.28 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 m-85 -141.75 163.8 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.051 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.8 m80 -60.51 144.39 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -47.51 -44.46 25.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -69.03 -35.63 76.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.563 ' HB3' HG11 ' A' ' 12' ' ' VAL . 23.0 m -63.67 -51.93 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.798 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -58.83 95.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.665 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -146.32 134.61 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 39' ' ' VAL . 48.8 t -50.85 111.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 3.09 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.8 t -97.11 -73.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -72.47 -21.6 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 79.27 22.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -100.29 135.72 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-80 -47.09 145.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.897 HD13 ' CG2' ' A' ' 49' ' ' VAL . 8.2 mt -126.96 103.16 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -161.07 86.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -176.43 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -174.08 174.18 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 48' ' ' THR . 8.9 m 62.66 52.93 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.897 ' CG2' HD13 ' A' ' 44' ' ' LEU . 1.5 p -119.03 174.72 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -153.96 164.76 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.573 HG22 ' SG ' ' A' ' 25' ' ' CYS . 4.3 t -120.01 171.17 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.531 ' H ' HG12 ' A' ' 51' ' ' VAL . 54.0 t60 -165.54 102.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.27 -107.62 0.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -113.12 43.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -153.15 160.25 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -125.52 137.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.902 ' CD1' HG23 ' A' ' 39' ' ' VAL . 16.2 m-85 -140.59 148.5 41.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HB3' HD21 ' A' ' 44' ' ' LEU . 24.8 p -78.04 149.28 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' HB3' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -39.45 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 59' ' ' LYS . 46.5 t -31.54 -68.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 31.8 m -41.35 -59.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.42 -52.99 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.74 -23.08 66.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -75.61 -46.53 31.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -62.72 -48.36 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.03 -47.82 70.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 88.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.88 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.58 -167.14 25.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -172.98 172.09 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.05 153.24 8.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.45 176.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.96 157.49 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -173.92 170.7 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.64 170.61 40.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.0 175.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.26 146.97 6.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -137.72 150.76 47.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 80' ' ' LEU . 2.2 pt? -142.44 176.56 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.5 t -175.41 144.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -149.31 153.87 38.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.36 164.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -166.39 166.76 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.7 -168.92 14.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.43 167.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.0 p -179.31 159.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.3 176.76 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.55 147.13 4.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -173.34 147.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -147.54 166.06 28.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -165.86 158.91 15.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -178.62 164.0 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 179.29 168.61 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.28 172.05 44.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 165.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -178.0 170.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -175.61 174.42 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.571 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.42 94.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.93 5.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -138.82 178.02 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -143.52 132.68 11.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.06 6.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -139.75 166.45 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.78 174.87 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.57 169.49 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.64 167.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.0 ptp -170.82 167.17 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.47 164.89 3.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.93 167.88 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -175.96 164.43 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.26 150.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.33 -146.7 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.82 75.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p -177.04 168.21 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.42 -158.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -132.38 171.5 21.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 139' ' ' HIS . 49.1 t -101.8 106.46 47.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.58 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.0 -1.0 10.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.774 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -88.14 -65.77 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.465 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.6 p -84.87 -39.83 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.56 -27.58 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.53 145.87 47.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.41 163.2 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 139' ' ' HIS . 97.7 t -133.54 124.05 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 126' ' ' TYR . 7.0 p90 -127.54 -51.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -169.32 -173.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 77.34 -56.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.1 tt0 -134.28 44.53 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 153.03 20.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.1 p -146.29 145.85 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.82 115.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.95 151.94 23.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 48.99 53.96 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.22 39.46 1.58 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 162.33 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 0.735 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.586 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 31.0 t -116.08 149.98 38.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.934 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.24 -176.21 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.925 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.3 m80 -81.48 143.5 32.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -80.87 44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 t -150.99 -46.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.95 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.85 -36.99 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.8 OUTLIER -46.71 98.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.411 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 3.5 ptt180 -141.63 155.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 36.2 t -51.42 126.97 18.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.42 34.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -134.81 -46.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.04 -21.69 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.85 61.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -76.99 122.67 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.411 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -65.95 127.44 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.95 -172.51 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.82 -57.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.3 t 176.76 57.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 21.9 p -116.93 -76.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 167' ' ' LYS . 11.5 m -153.88 74.64 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -98.82 145.58 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.773 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -103.73 153.71 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.6 p-10 -129.45 97.67 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -97.32 98.31 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 160' ' ' LYS . 0.7 OUTLIER 38.51 69.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 86.74 -49.51 4.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 37.0 mm-40 -52.47 149.69 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.006 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.4 pt -129.44 130.0 67.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.5 m-85 -139.02 -174.92 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.9 p -100.56 147.99 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 156' ' ' THR . 8.9 tttm -46.0 -42.83 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.44 -30.71 62.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -81.68 -48.04 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.9 t80 -57.18 -32.38 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.84 -61.03 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 173' ' ' ASN . 9.7 mmtt -47.18 -60.98 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 5.2 m-80 -39.31 -39.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -124.62 61.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -175.91 70.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.34 65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 179' ' ' PHE . . . 170.76 -150.89 14.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 178' ' ' GLY . 0.2 OUTLIER -175.89 172.38 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.947 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -130.12 -172.01 13.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.56 171.86 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 172.49 130.08 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.37 141.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -168.8 -125.85 0.81 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 63.29 158.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 168.83 169.01 31.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -174.06 133.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.12 172.62 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -171.72 121.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -167.28 148.84 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 89.9 p -71.01 137.84 49.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.245 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.543 0.211 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.96 176.89 9.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.96 165.5 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -122.6 160.15 26.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.17 -143.63 4.01 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.09 -153.66 6.09 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.19 -163.01 20.29 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -97.31 177.91 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 116.57 21.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.2 t -78.62 106.32 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.68 5.24 61.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.7 t -94.29 -66.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.55 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.88 -24.25 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.4 tt0 84.87 28.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -111.2 179.0 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.07 140.03 31.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.982 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.9 t -111.96 158.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -125.39 -63.04 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.52 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -40.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 2.0 pt-20 -138.63 47.0 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 116.66 29.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 35' ' ' PHE . 45.5 t -120.78 118.6 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.21 144.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.15 134.42 21.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -38.91 104.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.68 -56.37 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 t -151.09 171.17 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.6 p -137.53 133.16 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -131.76 173.12 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.982 ' NE2' HG22 ' A' ' 17' ' ' VAL . 69.5 m80 -64.26 162.22 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 23' ' ' VAL . 14.5 tttm -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 7.79 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 12' ' ' VAL . 51.7 m -112.49 29.16 8.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.9 t80 -133.93 79.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -141.73 134.38 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 44' ' ' LEU . 45.0 t -47.72 114.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.45 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.13 11.76 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 34.6 t -108.12 -69.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.6 p -78.46 -25.53 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 85.43 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -98.78 128.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.96 143.69 51.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 37' ' ' CYS . 9.2 mt -125.16 145.85 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -107.59 -66.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.17 95.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.983 HG22 HG23 ' A' ' 48' ' ' THR . 4.2 m -158.01 -62.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.983 HG23 HG22 ' A' ' 47' ' ' THR . 71.1 p -127.31 4.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.946 HG21 ' CE1' ' A' ' 35' ' ' PHE . 2.0 p -59.76 143.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.86 166.07 18.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -118.79 140.28 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.8 t-160 -150.61 130.74 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.05 -99.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.73 51.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.3 OUTLIER -165.07 160.85 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -108.16 141.72 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 19.3 m-85 -145.14 126.34 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 31.8 p -55.65 150.83 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.04 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' LYS . 1.1 t -34.03 -67.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' SER . 24.5 m -40.8 -53.12 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.9 t80 -49.71 -55.81 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.95 -16.06 56.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -54.31 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -51.31 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLY . 22.8 m-85 -64.75 -46.58 81.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.59 98.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.83 5.7 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.32 173.68 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.39 -176.94 45.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 176.47 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.85 179.24 40.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -177.14 176.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.36 172.23 45.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.48 170.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.28 173.07 42.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.91 176.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.16 172.45 45.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -172.45 159.62 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 0.722 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -146.75 176.6 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 t 179.05 155.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -137.23 178.38 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 176.97 167.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.33 176.72 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.87 -169.58 28.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.18 171.03 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.761 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.3 p -179.84 162.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 89' ' ' GLY . 8.3 tt -173.72 158.28 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.414 ' N ' HD23 ' A' ' 88' ' ' LEU . . . 154.84 136.65 2.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 tt -173.87 152.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -173.48 167.91 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -174.22 172.75 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.79 169.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.43 171.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.33 166.42 30.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.25 168.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.11 154.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -178.6 166.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 86.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.9 17.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.0 p -137.43 178.65 6.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.5 99.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.71 5.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -170.38 160.99 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.94 169.56 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 167.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 107' ' ' ARG . 8.8 ttm105 176.66 165.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.9 ttt -178.56 156.81 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.28 170.96 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.78 171.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.52 176.71 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.66 176.0 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.84 175.32 36.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.86 146.03 4.25 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.3 p -175.4 169.01 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -151.11 -153.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.97 171.97 23.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.3 t -101.89 106.64 48.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.595 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.06 -0.73 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -68.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.5 p -79.56 -34.3 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.262 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 22.54 13.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -40.61 157.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.934 HG22 ' CD2' ' A' ' 139' ' ' HIS . 45.0 t -133.34 121.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -168.55 143.07 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . 62.23 -152.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.49 135.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 78.1 62.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.797 ' CE ' HD11 ' A' ' 132' ' ' ILE . 1.9 ttpp -136.32 134.02 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 138' ' ' TRP . 10.0 p -133.97 144.92 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.797 HD11 ' CE ' ' A' ' 130' ' ' LYS . 4.9 mp -124.54 117.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.54 147.54 17.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 159' ' ' ASP . . . 46.46 58.05 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 38.39 40.95 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -146.63 159.44 43.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.544 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.9 m -115.23 143.55 45.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.022 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.51 179.52 9.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 108.004 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.934 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.3 m80 -81.4 131.95 35.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 140' ' ' LYS . 0.0 OUTLIER -69.41 61.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -173.66 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.14 -42.36 76.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.824 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -32.1 102.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.4 146.48 38.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.93 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.1 t -47.99 126.54 10.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.81 34.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -135.32 -46.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.9 -20.87 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.4 71.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -78.98 132.15 36.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 141.81 57.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.93 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -163.64 177.41 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.71 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.523 ' H ' HD23 ' A' ' 157' ' ' LEU . 5.0 t 76.84 -56.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -48.43 105.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 167' ' ' LYS . 71.2 p 42.24 55.54 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.756 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -104.47 119.23 38.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.562 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -83.6 147.62 27.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 134' ' ' ALA . 8.4 p-10 -129.25 102.77 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.5 OUTLIER -95.35 88.1 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.1 m-20 38.81 71.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.3 -50.05 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.1 mp0 -59.05 155.01 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.824 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.1 pp -132.01 139.56 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -150.17 -176.85 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' CYS . 29.8 p -95.06 141.46 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 156' ' ' THR . 0.1 OUTLIER -45.68 -39.61 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.79 64.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 166' ' ' CYS . 9.1 m -80.2 -48.79 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.462 ' HB2' ' HB2' ' A' ' 158' ' ' ALA . 3.0 t80 -55.2 -30.73 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.85 -64.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.7 OUTLIER -48.4 -68.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 174' ' ' PHE . 22.1 t-20 -39.37 -30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 173' ' ' ASN . 50.0 m-85 -116.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -110.85 157.3 15.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.19 17.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -148.13 143.37 27.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -159.57 151.04 21.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.35 166.49 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -161.53 160.73 32.55 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -167.79 103.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 152.88 114.06 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -156.1 130.01 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 137.01 92.29 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -143.22 146.64 33.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.784 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -151.08 -165.07 12.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 58.54 176.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 191' ' ' SER . 5.3 tt 67.02 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 190' ' ' HIS . 1.3 tt -126.23 -52.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.449 ' N ' HG23 ' A' ' 189' ' ' ILE . 43.8 m80 -114.76 66.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . 0.428 ' O ' HD11 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -179.35 81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.542 0.211 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.01 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.3 p30 178.76 161.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -99.58 162.28 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.03 -166.51 17.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.83 -141.87 3.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -52.79 -53.14 34.55 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 88.5 170.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 0.722 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 131.16 44.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.7 t -85.94 109.67 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.97 7.59 54.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG23 ' CD1' ' A' ' 30' ' ' PHE . 3.3 t -100.77 -66.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.4 p -80.08 -26.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 11.0 tt0 86.7 28.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.68 148.24 44.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.62 143.81 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 9.1 t -122.08 146.86 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -142.28 -47.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -45.85 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 -15.95 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.42 -28.03 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 2.6 tm-20 -40.26 143.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' GLU . 74.7 t -131.86 127.95 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -77.29 174.52 10.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -162.82 74.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 35.98 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.49 -45.85 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -85.42 179.35 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.948 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 41.0 t -169.05 126.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -134.83 167.67 20.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.1 m80 -59.01 161.59 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -53.9 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -29.19 66.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.13 -45.03 91.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.4 t80 -67.73 75.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD12 ' CA ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -137.41 133.21 34.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 t -46.39 111.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.61 7.6 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.035 HG23 ' CD1' ' A' ' 57' ' ' TYR . 51.9 t -101.57 -67.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 14.4 p -79.77 -24.41 41.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 85.63 24.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.33 127.56 53.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.55 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p30 -50.0 144.9 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.075 HD13 HG23 ' A' ' 49' ' ' VAL . 28.6 mt -118.53 107.02 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.36 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 89.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.421 ' C ' HG22 ' A' ' 48' ' ' THR . 1.9 m -164.34 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.501 HG23 ' HB3' ' A' ' 59' ' ' LYS . 5.1 t 41.85 50.63 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.075 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -84.88 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.71 164.81 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.4 t -120.94 167.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.42 ' H ' HG12 ' A' ' 51' ' ' VAL . 3.2 t-80 -160.03 102.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.59 -104.07 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.31 42.78 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 6.8 mm-40 -147.82 151.63 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.667 HD11 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -116.02 139.47 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.035 ' CD1' HG23 ' A' ' 39' ' ' VAL . 31.7 m-85 -147.85 167.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.872 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.4 p -104.02 143.74 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 60' ' ' SER . 17.8 tptm -38.16 -61.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -29.71 -72.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' HB3' HG11 ' A' ' 39' ' ' VAL . 83.2 m -44.79 -57.01 4.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -40.82 -65.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.67 -18.21 44.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -73.99 -55.65 5.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -68.4 -54.58 16.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -60.99 -39.4 89.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.56 98.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.62 5.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -117.11 159.05 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.91 -164.5 40.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 175.62 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -139.28 -158.54 7.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -163.58 176.75 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.79 -157.21 7.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttm -165.12 170.61 14.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -156.09 -171.93 22.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.2 175.95 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.54 174.94 45.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -168.15 161.62 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -173.12 155.61 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.641 ' N ' HD22 ' A' ' 80' ' ' LEU . 45.2 p -178.0 160.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -172.22 164.57 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 178.17 164.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.0 149.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.24 155.22 17.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.79 145.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.14 143.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -172.97 159.9 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.489 ' N ' HD22 ' A' ' 88' ' ' LEU . . . 139.16 137.64 3.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 tp -173.9 145.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -174.37 170.4 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -155.35 174.03 15.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.33 171.22 10.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -178.27 153.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -174.14 148.39 9.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -177.09 137.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 p 178.08 136.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -178.61 157.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -177.9 85.58 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.88 11.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -153.43 122.7 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.1 t30 178.22 99.86 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.17 4.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.73 152.41 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.92 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t -177.38 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.86 132.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 155.85 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.55 132.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 122.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.32 140.22 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.2 151.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.69 163.34 10.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 142.38 75.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 p 177.84 147.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 137' ' ' SER . 0.6 OUTLIER -161.48 -153.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -132.94 172.25 21.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.0 t -101.53 107.3 50.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.606 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.0 -1.15 10.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -69.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 26.8 p -79.59 -34.64 40.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.254 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.48 -29.22 8.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.28 139.86 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 126' ' ' TYR . . . -52.91 167.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.967 HG22 ' CD2' ' A' ' 139' ' ' HIS . 48.5 t -134.49 117.47 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 21.7 m-85 -141.35 -169.4 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 128' ' ' ALA . . . -51.82 104.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 127' ' ' ALA . . . 166.83 -61.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 47.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 22.7 tttt -88.06 139.3 30.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.004 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.7 p -133.77 151.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 132' ' ' ILE . 4.9 mp -117.94 116.33 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.39 147.98 18.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.47 52.26 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.84 42.69 6.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.23 170.01 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 3.1 t -116.4 135.43 53.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.004 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -148.9 176.33 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.967 ' CD2' HG22 ' A' ' 125' ' ' VAL . 23.1 m80 -79.21 129.31 34.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.2 OUTLIER -66.37 71.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.6 OUTLIER 166.62 -46.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 143' ' ' PHE . 76.6 m -59.93 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 108.278 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 157' ' ' LEU . 0.1 OUTLIER -29.14 114.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.64 146.77 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.666 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.5 t -71.05 127.2 31.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.31 33.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -134.49 -46.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.24 -20.4 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.12 63.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -62.48 142.73 57.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.6 m -65.11 155.77 33.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.5 OUTLIER -114.21 -174.7 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 152' ' ' LEU . 1.2 tm-20 86.21 53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 m -152.14 -53.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.4 p -105.55 -63.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 167' ' ' LYS . 1.0 OUTLIER -176.55 129.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.71 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -95.9 119.87 35.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.537 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -87.49 150.86 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.597 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -131.83 106.17 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -100.21 94.09 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.2 m-20 38.55 73.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.82 -49.38 3.82 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.5 mm-40 -56.45 153.91 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 134' ' ' ALA . 12.1 pt -132.79 131.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 51.6 m-85 -141.96 -178.17 5.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -94.59 147.09 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 156' ' ' THR . 10.3 tttt -46.84 -40.98 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.42 -30.14 64.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.2 m -80.76 -47.13 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.503 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -59.19 -32.79 70.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.26 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.7 mmtm -47.08 -60.9 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 172' ' ' LYS . 12.3 m-20 -39.17 -39.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.3 m-85 -123.8 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -141.15 69.15 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.42 6.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.32 63.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -179.56 -116.99 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -146.75 144.24 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -138.75 152.73 22.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.7 161.89 38.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 133.06 116.87 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.35 169.06 25.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -140.98 -159.81 8.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -146.41 166.96 24.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -128.37 138.06 10.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.435 ' O ' HD12 ' A' ' 189' ' ' ILE . . . -118.78 155.69 30.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.34 80.55 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 187' ' ' ALA . 2.9 mp -80.31 136.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -89.39 109.07 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.63 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 43.6 p -53.92 108.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.999 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.473 0.178 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -134.64 162.82 31.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.68 161.14 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.95 -147.88 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.57 -151.0 5.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . 37.85 -114.99 0.33 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 89.12 170.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -59.47 133.07 55.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.516 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.2 t -90.67 111.74 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.25 11.36 37.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 2.4 t -106.23 -65.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.7 p -82.85 -28.09 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.2 tt0 88.95 27.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -123.95 151.23 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.52 150.37 49.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.058 HG22 ' NE2' ' A' ' 31' ' ' HIS . 16.3 t -126.54 162.59 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -113.3 -178.61 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.65 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 37.7 p90 -93.11 96.43 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 166.73 -58.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.5 pt-20 -83.14 -23.97 32.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -38.32 133.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.9 t -128.08 117.71 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.58 165.63 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -163.98 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 108.286 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER 36.88 81.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.77 -47.12 3.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.3 175.9 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 60.6 p -167.68 127.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.2 OUTLIER -135.86 173.39 11.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.058 ' NE2' HG22 ' A' ' 17' ' ' VAL . 37.4 m80 -51.72 -176.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.647 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -81.92 -58.66 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -63.45 -30.88 71.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.44 -40.23 74.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.812 ' HE1' HG21 ' A' ' 49' ' ' VAL . 3.3 t80 -70.09 68.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.792 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -126.84 130.53 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.5 t -43.46 113.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.38 8.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.856 HG23 ' CD1' ' A' ' 57' ' ' TYR . 48.1 t -102.02 -67.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 16.0 p -79.76 -23.47 42.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 82.29 25.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.74 136.23 48.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -45.03 145.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.708 HD21 ' CB ' ' A' ' 58' ' ' CYS . 2.4 mt -114.01 142.68 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -176.16 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.495 ' C ' HG23 ' A' ' 47' ' ' THR . 4.2 m -93.63 92.84 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 46' ' ' SER . 36.6 p -155.91 -65.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 10.0 t -141.5 40.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.812 HG21 ' HE1' ' A' ' 35' ' ' PHE . 7.6 p -85.29 145.69 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -128.54 163.8 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.24 161.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -155.34 116.89 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.96 -100.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.82 48.72 2.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 1.3 mt-10 -153.19 158.2 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -115.39 138.28 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.856 ' CD1' HG23 ' A' ' 39' ' ' VAL . 21.7 m-85 -143.66 157.81 44.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.708 ' CB ' HD21 ' A' ' 44' ' ' LEU . 16.2 p -96.06 131.52 42.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -39.34 -57.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.2 m -38.49 -41.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.1 m -70.28 -56.45 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 108.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.919 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-85 -42.26 -48.35 4.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.55 -33.88 60.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -36.96 83.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -74.38 -57.54 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 20.6 m-85 -58.02 -18.8 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.64 157.27 34.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 179.53 6.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 176.61 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.68 -174.93 21.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -157.11 176.64 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.62 -162.09 9.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -158.72 176.4 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 0.793 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.65 165.93 34.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.02 170.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 132.07 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.88 162.74 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.12 128.91 2.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -148.32 123.52 10.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.36 156.6 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -177.11 151.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -146.86 139.81 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -165.71 149.26 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 174.46 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.88 164.12 17.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -177.14 155.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -155.39 168.66 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt -115.15 162.36 17.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.94 -155.23 5.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 tt -162.06 157.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -142.05 149.33 39.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.97 168.9 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.73 159.9 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.53 137.0 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.68 131.38 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 t -176.72 124.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.19 157.31 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -145.58 85.98 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 120.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 t -76.26 124.6 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -110.27 99.85 41.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.43 39.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 177.58 150.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.39 170.58 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.17 167.31 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.28 157.91 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 ttm -164.37 120.07 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -164.06 121.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -138.21 96.96 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 82.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 67.2 t -136.08 135.07 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.02 -168.73 12.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.37 155.52 2.0 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.14 -59.29 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CG ' ' CB ' ' A' ' 137' ' ' SER . 3.9 p-10 -153.26 -163.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -134.01 171.9 21.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 35.9 t -98.39 109.25 51.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.07 -32.21 50.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.95 -25.45 22.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 140.54 57.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -56.96 162.07 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -136.14 122.7 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.84 -62.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -161.3 -166.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 74.88 -58.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 1.3 tp10 -132.51 43.57 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.753 ' HD3' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -96.54 131.64 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.014 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.4 p -129.51 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.753 HD11 ' HD3' ' A' ' 130' ' ' LYS . 4.1 mp -125.79 115.8 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.05 154.54 25.74 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.65 48.47 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 0.803 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.87 21.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 168.37 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.568 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 22.9 m -124.04 146.87 48.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.014 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -165.56 173.99 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 108.002 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -74.51 129.19 37.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -58.01 -16.3 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -81.88 -52.24 7.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.1 m -69.27 -59.29 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.968 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.6 t80 -34.08 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 5.1 ptp180 -141.47 146.1 36.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.2 t -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.265 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.93 33.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HZ3' ' CG ' ' A' ' 173' ' ' ASN . 3.3 mttt -134.37 -46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.17 -19.82 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.08 19.38 67.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.86 119.74 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 12.6 p -59.74 134.07 56.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.557 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -103.91 -175.38 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.74 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 174.62 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 155' ' ' THR . 17.6 m -75.78 56.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 13.6 t -132.63 25.4 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.854 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -97.69 171.54 8.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.854 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -138.32 111.79 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 2.6 p30 -90.89 100.04 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -98.91 97.58 8.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 160' ' ' LYS . 75.0 m-20 39.94 65.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 89.18 -48.88 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.2 mm-40 -55.37 159.86 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.968 HD13 ' CE1' ' A' ' 143' ' ' PHE . 10.1 pt -136.09 136.96 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 48.8 m-85 -147.94 -174.97 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 25.4 p -98.95 149.75 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 168' ' ' GLY . 7.0 ptmt -46.69 -42.75 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -58.45 -29.51 63.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -81.78 -48.13 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.586 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -33.08 68.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.98 -60.08 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.77 -61.07 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 4.7 m-80 -39.02 -38.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 0.9 OUTLIER -124.69 61.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -91.21 174.25 38.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.23 27.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -134.17 131.7 38.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -153.55 140.58 7.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -148.99 145.78 27.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 137.82 108.53 0.85 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -167.97 165.28 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 99.48 76.01 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -153.46 148.08 26.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -130.76 -139.2 4.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -170.56 161.48 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -156.21 109.58 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.479 ' CB ' ' CE1' ' A' ' 190' ' ' HIS . . . -101.78 174.86 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.23 159.78 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 42.27 60.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.479 ' CE1' ' CB ' ' A' ' 187' ' ' ALA . 7.8 m80 -67.56 113.08 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.21 -58.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.926 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.27 4.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -62.87 167.22 4.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.65 161.25 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.36 171.12 36.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.1 -158.76 9.5 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.57 -150.21 5.14 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mtpt -137.3 120.97 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 114.48 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.1 t -69.81 107.06 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.91 7.03 60.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 34' ' ' CYS . 2.8 t -96.93 -64.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 28.3 p -84.34 -24.49 29.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 86.21 28.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.0 143.54 50.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.097 HG22 ' NE2' ' A' ' 31' ' ' HIS . 10.0 t -116.02 149.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -161.83 104.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.682 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.9 m-85 52.68 -171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 83.18 -62.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -137.63 -80.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 50.43 97.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' CD2' ' A' ' 35' ' ' PHE . 43.1 t -100.89 140.79 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 31.6 tt0 -124.68 156.51 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.1 p -164.32 129.7 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 51.28 -100.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.03 40.53 1.66 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -152.1 170.77 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.523 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 4.8 t -159.85 136.61 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.097 ' NE2' HG22 ' A' ' 17' ' ' VAL . 67.5 m80 -62.56 140.07 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.532 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -56.24 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.2 m -52.97 -43.07 66.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG11 ' A' ' 12' ' ' VAL . 86.5 m -61.07 -45.14 95.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.846 ' HE1' HG21 ' A' ' 49' ' ' VAL . 13.4 t80 -67.04 81.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -128.14 133.02 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' N ' HD12 ' A' ' 44' ' ' LEU . 49.1 t -46.56 111.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 3.64 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.904 HG23 ' CD1' ' A' ' 57' ' ' TYR . 55.0 t -98.15 -73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.1 p -71.9 -22.73 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER 81.02 23.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -103.43 135.25 45.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.18 144.44 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.953 HD21 ' HB3' ' A' ' 58' ' ' CYS . 8.8 mt -116.85 127.79 54.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -168.41 69.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.25 173.4 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 47' ' ' THR . 10.1 t -92.46 48.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 48' ' ' THR . 3.3 m -159.41 54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.846 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.1 p -118.66 176.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -159.58 165.27 33.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 55' ' ' GLU . 4.3 t -120.37 149.27 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 23.8 t-80 -175.69 155.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.76 52.94 7.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 40.63 45.57 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.829 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -114.17 136.42 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.904 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.4 m-85 -142.69 143.42 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.953 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.6 p -74.59 139.2 43.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' CE ' HG23 ' A' ' 48' ' ' THR . 2.1 ttmt -38.14 -64.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -34.77 -50.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 m -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 t80 -45.56 -53.13 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.02 -23.07 76.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -54.88 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -64.82 -48.33 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 62' ' ' TYR . 5.1 m-85 -60.55 -37.53 81.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.55 98.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 176.77 9.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpm? -150.05 147.82 28.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -136.32 -179.57 16.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.5 173.97 8.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.19 174.06 40.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.21 166.47 26.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -178.92 159.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.99 130.76 1.47 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -167.9 159.41 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.2 146.62 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -162.3 146.89 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -157.86 142.58 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 p -177.24 138.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -172.51 148.53 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 178.76 140.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -175.77 148.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.93 111.38 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.83 152.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.423 ' C ' HD22 ' A' ' 88' ' ' LEU . 0.1 OUTLIER 179.04 84.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 87' ' ' SER . 4.5 mm? -120.59 130.17 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.23 129.24 1.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 tp -161.69 144.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.37 155.58 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -134.44 157.42 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -151.31 150.81 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.77 160.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.49 123.38 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -156.78 163.85 38.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -143.93 159.93 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -147.69 168.23 22.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -151.38 94.84 3.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.97 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -113.77 150.03 34.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 103' ' ' PRO . 14.3 t-20 -128.14 127.86 23.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 18.2 Cg_endo -75.0 165.28 31.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -111.87 152.41 28.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.93 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -146.86 162.53 38.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -148.27 156.62 42.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 161.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -99.78 148.8 24.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -102.55 130.61 49.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -74.52 173.04 10.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.67 150.51 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -107.61 93.53 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.08 134.86 12.58 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.9 m -82.95 -58.4 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.746 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -162.59 -156.37 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.61 170.69 20.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 33.9 t -100.96 108.58 54.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.0 0.62 8.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -71.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.4 p -75.96 -27.99 57.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -21.86 42.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.35 141.97 56.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.03 162.79 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 59.4 t -133.43 116.82 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -95.92 177.52 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.12 -66.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.43 134.55 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 74.23 60.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -143.92 141.24 30.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.2 p -133.2 147.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.37 116.87 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.53 142.88 10.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.585 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.78 45.79 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 52.32 37.46 47.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 157.18 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -115.34 136.83 52.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.975 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.57 173.29 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.6 m80 -70.08 128.46 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.487 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 7.9 tttp -67.31 71.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 139' ' ' HIS . 4.9 t 167.28 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 8.9 p -60.62 -30.52 69.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.778 ' CD1' HD13 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -34.21 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.635 ' O ' HD12 ' A' ' 164' ' ' ILE . 8.4 mtt180 -104.05 157.78 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.779 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.8 t -76.6 125.97 30.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.98 33.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.84 -45.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.9 p -110.21 -20.92 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.85 18.13 68.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -80.14 176.76 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 152' ' ' LEU . 70.2 p -95.33 147.9 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -131.75 -175.98 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -153.48 36.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.819 ' HA ' HD23 ' A' ' 157' ' ' LEU . 5.6 t 73.71 -58.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.048 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.2 m -49.7 -57.17 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.0 t -90.09 35.05 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 1.006 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -109.18 140.86 42.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 1.006 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -121.4 115.63 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.585 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -96.03 94.35 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 170' ' ' TYR . 0.0 OUTLIER -130.17 142.28 50.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 47.0 61.92 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.2 34.25 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 6.6 mt-10 -133.79 156.78 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.778 HD13 ' CD1' ' A' ' 143' ' ' PHE . 1.3 pt -115.09 130.67 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 33.7 m-85 -135.48 -176.61 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.6 p -98.48 144.75 27.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -45.69 -41.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.13 -31.84 59.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 173' ' ' ASN . 5.3 m -81.57 -46.85 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.449 ' HB2' ' CB ' ' A' ' 158' ' ' ALA . 4.2 t80 -56.15 -31.12 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -87.55 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.9 mmmt -47.57 -67.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 169' ' ' CYS . 1.6 t30 -38.56 -34.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 171' ' ' ALA . 76.2 m-85 -117.35 58.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.61 25.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 155.64 42.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -104.0 171.19 7.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -121.64 151.86 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -87.79 -52.8 5.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 140.15 -176.43 21.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.86 169.98 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 165.48 175.3 35.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -32.52 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 93.63 86.07 1.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -159.94 75.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -116.66 146.83 18.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 64.18 121.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.4 tt -166.94 117.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.24 137.46 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 68.93 126.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 10.1 t -71.25 -58.5 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 -179.991 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.526 0.203 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.05 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -161.65 152.09 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -127.42 157.14 40.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 107.964 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.3 153.49 8.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.72 -154.84 12.32 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA3' HG12 ' A' ' 17' ' ' VAL . . . -52.82 -48.54 56.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER 87.75 171.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.8 t -87.65 109.97 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.95 7.55 54.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.3 t -100.83 -66.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.6 p -80.95 -26.61 36.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 87.17 28.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 151.55 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 152.8 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.905 HG22 ' NE2' ' A' ' 31' ' ' HIS . 24.5 t -126.51 148.66 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.45 -175.76 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.682 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 13.8 p90 -79.51 48.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.65 -56.51 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.72 55.17 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.76 146.16 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 85.9 t -134.41 116.94 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 25' ' ' CYS . 8.7 tt0 -95.67 145.96 24.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HG ' ' HZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -142.11 137.16 30.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -40.58 105.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -54.89 0.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 m -153.39 169.62 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -121.1 129.2 53.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -127.96 164.86 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.905 ' NE2' HG22 ' A' ' 17' ' ' VAL . 42.6 m80 -54.55 175.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.8 tttt -68.66 -60.11 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -61.75 -33.69 74.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 m -55.27 -37.48 67.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -68.64 69.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -133.47 133.25 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.5 t -45.05 114.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.42 9.44 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.944 HG23 ' CD1' ' A' ' 57' ' ' TYR . 44.1 t -105.33 -68.48 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -78.84 -20.55 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' O ' HD11 ' A' ' 36' ' ' LEU . 9.5 mttt 80.02 21.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 131.48 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -50.15 149.26 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -125.75 146.68 49.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER 155.88 95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.18 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 47' ' ' THR . 4.4 t -165.53 86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER 165.19 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 -179.943 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.954 HG21 ' CE1' ' A' ' 35' ' ' PHE . 4.4 p -49.94 145.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -133.39 165.56 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -118.9 142.4 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 6.5 t60 -153.06 132.93 13.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.93 -104.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -131.71 50.67 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -164.94 160.8 19.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -107.57 141.27 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.944 ' CD1' HG23 ' A' ' 39' ' ' VAL . 18.2 m-85 -144.44 130.73 19.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.948 ' HB3' HD21 ' A' ' 44' ' ' LEU . 23.0 p -66.7 141.29 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 108.267 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CB ' HG23 ' A' ' 48' ' ' THR . 4.2 tttp -38.56 -63.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' LYS . 12.5 t -34.42 -52.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LYS . 12.9 m -58.63 -59.78 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -41.29 -59.04 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.33 -23.5 66.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -72.41 -37.65 68.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -61.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 37.9 m-85 -58.56 -33.67 70.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.85 172.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.85 30.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.43 1.753 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.92 175.49 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.47 -130.09 6.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.48 170.76 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.8 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.8 -158.59 9.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -158.47 148.07 19.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.77 139.44 10.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.8 146.94 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.17 170.0 33.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.92 167.92 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.25 113.06 0.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 m -148.31 137.91 22.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.75 167.72 16.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 p -175.52 121.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -171.53 138.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -171.66 110.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.96 144.43 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.74 126.51 0.85 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -168.22 162.39 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -174.98 138.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -174.31 155.32 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.88 109.46 0.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.7 tt -170.81 126.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -130.63 156.71 44.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.65 170.06 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.91 152.89 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.05 141.59 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.23 119.93 0.61 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -150.19 157.19 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 p -141.98 170.43 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -164.65 169.17 17.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.633 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -163.5 95.02 1.07 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.06 11.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 t -125.26 149.2 48.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -82.42 114.4 51.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.0 17.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -149.84 150.03 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.71 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -140.25 170.2 16.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.96 163.76 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -170.57 133.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.22 171.48 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -161.47 135.45 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER -129.52 142.15 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.15 134.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.29 170.11 13.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.02 144.49 8.92 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.0 p -65.69 160.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.969 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -156.25 -153.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.03 172.01 23.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.494 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.7 t -100.67 107.92 51.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.99 0.6 8.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -70.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 16.8 p -77.29 -30.86 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.3 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -109.97 134.58 51.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.44 155.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.862 HG22 ' CD2' ' A' ' 139' ' ' HIS . 69.7 t -134.05 120.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -161.61 -53.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.61 -167.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.34 144.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.58 57.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpp -125.99 96.96 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 138' ' ' TRP . 6.1 p -97.56 153.97 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -135.28 115.55 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.66 153.79 25.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.48 49.85 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.4 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 3.6 mttt -147.02 169.01 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.61 137.74 51.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.018 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -155.15 172.1 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.862 ' CD2' HG22 ' A' ' 125' ' ' VAL . 36.9 m80 -77.24 119.34 20.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.545 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.45 ' CE ' ' HG3' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -43.94 -27.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 139' ' ' HIS . 32.8 t -70.33 -51.99 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 144' ' ' ARG . 11.0 m -69.05 -59.69 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.949 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.0 t80 -36.14 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -136.44 143.9 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.525 ' HB2' HD21 ' A' ' 152' ' ' LEU . 39.3 t -41.93 127.65 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.257 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.22 33.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -134.44 -46.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 p -109.93 -17.25 13.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.84 15.53 81.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -82.42 118.55 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 84.6 p -55.06 137.05 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -99.71 -175.03 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HG3' ' CE ' ' A' ' 140' ' ' LYS . 0.3 OUTLIER -179.58 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.1 m -58.39 174.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 155' ' ' THR . 21.0 m -80.06 52.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 68.7 p -128.98 35.12 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.786 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -97.18 166.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.786 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.28 101.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.65 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.4 p-10 -90.29 99.04 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' GLY . 5.3 ttmt -82.38 78.49 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.8 t70 65.74 -69.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -123.62 -30.76 1.03 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.6 mt-10 -76.61 165.18 25.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.949 HD13 ' CE1' ' A' ' 143' ' ' PHE . 7.5 pt -136.8 139.27 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.7 m-85 -150.66 -173.9 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.8 p -98.89 144.7 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -40.09 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 172' ' ' LYS . . . -59.16 -28.49 64.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.127 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 166' ' ' CYS . 6.0 m -83.09 -48.46 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.3 t80 -58.07 -32.94 68.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -82.73 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 168' ' ' GLY . 37.5 mttt -47.24 -62.43 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 57.2 t-20 -39.56 -37.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.2 m-85 -120.51 58.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.12 171.64 16.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 90.53 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -174.89 140.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 109.19 109.85 3.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -171.03 110.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.15 132.38 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -163.64 163.54 24.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 158.38 112.14 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.5 165.28 8.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.779 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 167.6 121.41 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -141.99 160.64 39.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -138.69 156.93 24.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -173.1 153.33 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.37 75.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.1 mt -124.39 85.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 2.1 t 51.84 78.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.01 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -117.99 92.43 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 58.93 161.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.39 -113.26 0.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.561 ' HA3' ' CZ ' ' A' ' 19' ' ' PHE . . . 140.05 131.48 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . 37.47 -115.42 0.33 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER 86.15 169.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.57 123.89 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 35.4 t -81.39 109.84 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.48 7.33 54.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.9 t -100.73 -67.12 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 25.2 p -79.86 -26.1 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 4.2 tp60 86.61 27.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.98 149.38 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.56 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.095 HG22 ' NE2' ' A' ' 31' ' ' HIS . 12.8 t -123.2 146.84 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -99.26 -67.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' HA3' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 178.58 -177.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.37 -66.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -73.37 -38.85 65.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -38.74 136.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' GLU . 68.1 t -133.86 119.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -78.63 130.85 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.522 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 2.0 t -135.55 133.08 38.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -40.27 103.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.04 -55.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -156.74 178.08 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 61.0 m -117.92 140.34 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -137.6 159.53 41.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.095 ' NE2' HG22 ' A' ' 17' ' ' VAL . 61.4 m80 -51.81 171.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -70.78 -59.42 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -58.43 -23.44 57.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -69.45 -55.81 9.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -61.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.733 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -146.18 133.53 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CA ' HD12 ' A' ' 44' ' ' LEU . 48.7 t -47.27 110.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.41 2.78 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 57' ' ' TYR . 40.2 t -97.37 -74.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 10.1 p -70.83 -21.57 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.22 22.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -101.88 133.96 45.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.8 p-10 -40.91 148.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 58' ' ' CYS . 6.1 mt -127.33 174.45 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.99 173.79 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -75.12 75.07 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 48' ' ' THR . 10.2 t -174.51 123.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 47' ' ' THR . 12.3 t 46.89 35.51 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' HE1' ' A' ' 35' ' ' PHE . 3.7 p -111.7 163.19 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.36 165.16 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.625 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.5 t -119.41 174.37 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.625 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -165.33 98.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.57 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.81 -104.12 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.0 40.62 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER -148.65 159.79 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.774 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -126.1 134.69 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.842 ' CD1' HG23 ' A' ' 39' ' ' VAL . 14.6 m-85 -137.48 150.96 47.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.6 p -81.97 141.34 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 48' ' ' THR . 9.5 tttt -38.04 -66.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 59' ' ' LYS . 6.3 p -34.28 -48.57 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 7.6 m -64.2 -55.98 17.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 108.316 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.628 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.4 t80 -42.81 -50.24 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.88 -28.29 70.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -65.36 -53.13 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -64.68 -47.78 77.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.0 m-85 -59.13 -31.52 69.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.34 157.24 2.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -118.12 -64.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.65 -173.28 20.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.24 176.72 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.76 -153.64 8.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.18 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.49 -179.37 15.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -158.28 170.44 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.07 -162.39 9.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.17 176.01 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.6 156.25 9.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -172.53 144.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -173.97 139.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.84 131.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -146.45 128.82 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p30 178.8 134.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -172.43 152.87 2.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.93 128.59 3.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -178.92 126.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.91 88.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tp -177.2 134.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.22 95.01 1.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 90' ' ' ILE . 3.1 tp -173.4 100.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.2 106.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -174.31 125.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -177.15 113.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.94 149.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.71 151.11 6.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.41 167.23 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t -157.48 159.04 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -139.83 172.86 12.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.44 95.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.0 m -139.75 133.12 30.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -143.43 145.9 33.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.23 4.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -173.5 163.05 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.35 132.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -159.34 170.34 22.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 139.41 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.61 149.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.91 175.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 67.78 144.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -171.51 176.6 3.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -172.33 149.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.07 172.36 43.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.121 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.9 123.5 5.64 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -144.08 130.49 19.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.58 -154.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -129.46 171.89 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.8 t -100.21 108.62 53.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.522 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -71.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.499 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.8 p -77.47 -31.91 54.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.252 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.32 -23.83 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.35 143.26 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -59.98 162.28 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 139' ' ' HIS . 74.6 t -134.56 123.04 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 t80 -175.84 122.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.59 110.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 127' ' ' ALA . . . 62.45 136.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.35 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.29 123.43 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.3 p -130.0 149.21 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 47.3 mm -125.78 115.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.55 145.64 14.51 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.09 55.18 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.17 37.6 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -143.19 170.58 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 35.3 p -125.99 148.27 49.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.035 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.38 171.75 17.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.884 ' CD2' HG22 ' A' ' 125' ' ' VAL . 40.0 m80 -70.23 119.31 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 141' ' ' SER . 0.1 OUTLIER -64.76 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.6 OUTLIER 155.9 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.5 OUTLIER -89.96 -25.09 21.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 97.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.4 ttt180 -102.5 146.26 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.89 ' HB2' HD21 ' A' ' 152' ' ' LEU . 35.7 t -75.07 127.83 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.17 35.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.2 OUTLIER -135.9 -46.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.2 p -109.79 -18.46 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.64 81.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' SER . 6.9 tptt -88.09 144.31 26.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 54.5 p -72.93 137.63 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.3 OUTLIER -105.13 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 174.93 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -54.04 164.26 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 155' ' ' THR . 19.8 m -78.32 57.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -147.33 50.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -102.22 123.28 45.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -85.75 150.18 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.0 OUTLIER -136.05 101.92 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 82.63 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.87 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -117.37 -26.45 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.0 mp0 -77.59 158.05 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.855 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.6 pt -130.41 138.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 37.0 m-85 -147.2 -175.29 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -95.44 145.64 25.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -40.27 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.96 -30.02 65.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 166' ' ' CYS . 2.9 m -80.63 -47.3 14.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.2 t80 -59.25 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.35 -63.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -47.48 -61.78 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 172' ' ' LYS . 25.4 m-20 -39.03 -38.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -123.21 58.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -144.42 157.25 27.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.6 24.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.77 147.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.21 130.03 1.55 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -176.03 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -171.2 158.35 29.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -174.24 151.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -150.3 -125.1 1.27 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.68 144.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -134.83 -155.7 7.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -140.11 176.06 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 158.19 -134.98 4.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 63.0 132.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.53 123.18 5.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 189' ' ' ILE . 40.7 mm -72.46 149.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 73.99 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.33 139.41 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.03 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 175.39 166.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.61 162.07 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.42 -145.45 4.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.52 174.7 31.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.24 -151.31 6.95 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -176.57 4.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -128.4 116.85 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.2 t -65.49 106.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.55 61.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 34' ' ' CYS . 1.7 t -94.44 -67.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.63 -22.89 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 84.23 27.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.75 43.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 134.52 46.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.044 HG22 ' NE2' ' A' ' 31' ' ' HIS . 2.7 t -110.27 145.65 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -165.45 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -108.58 -27.82 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -63.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 1.6 tt0 64.2 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.519 ' CG1' ' CD2' ' A' ' 35' ' ' PHE . 38.2 t -125.41 117.77 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.45 152.67 23.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 49' ' ' VAL . 1.1 m -146.14 162.62 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' CYS . 7.0 mm-40 -36.86 -48.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.27 47.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -156.21 167.12 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.472 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 3.0 m -177.43 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -142.87 173.83 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.044 ' NE2' HG22 ' A' ' 17' ' ' VAL . 45.3 m80 -57.52 166.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 ttmt -68.33 -48.21 65.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -40.46 95.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB3' HG11 ' A' ' 12' ' ' VAL . 96.3 m -59.7 -46.44 89.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.718 ' HE1' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -71.55 95.33 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.88 136.22 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 48.1 t -51.95 114.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.364 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.9 tpt -78.31 10.04 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.1 t -106.35 -70.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.4 p -77.02 -21.4 54.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 80.79 21.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 128.87 46.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -53.05 151.99 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.884 HD21 ' CB ' ' A' ' 58' ' ' CYS . 12.4 mt -120.96 155.15 34.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 44.4 m-20 -174.23 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -49.16 175.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 48' ' ' THR . 67.8 p -97.06 72.29 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 7.0 t -175.68 43.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.791 ' CG2' HD13 ' A' ' 44' ' ' LEU . 5.8 p -107.05 169.84 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -148.02 163.8 35.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.78 159.18 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CB ' ' CE2' ' A' ' 57' ' ' TYR . 10.8 t60 -145.42 145.08 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.18 71.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.565 1.166 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER 165.55 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -176.1 -178.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -104.32 142.12 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.797 ' CD1' HG23 ' A' ' 39' ' ' VAL . 15.4 m-85 -135.99 157.37 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.884 ' CB ' HD21 ' A' ' 44' ' ' LEU . 17.4 p -87.89 153.5 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -38.5 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 59' ' ' LYS . 63.0 m -31.8 -69.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LYS . 35.9 m -41.65 -56.94 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 66' ' ' TYR . 5.1 t80 -45.8 -52.77 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -17.84 65.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -77.56 -54.3 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -46.38 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CZ ' ' CZ ' ' A' ' 62' ' ' TYR . 8.5 m-85 -67.92 -49.21 63.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.45 11.22 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -141.06 174.29 10.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.92 -164.72 12.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -174.72 176.58 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -142.54 -177.21 17.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -149.84 174.95 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.64 155.35 9.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -178.06 170.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.85 149.78 5.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.03 174.76 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.75 141.9 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -172.15 157.34 4.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.17 136.76 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.4 155.37 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -171.57 150.0 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -177.9 165.71 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.67 153.34 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.54 -172.44 18.41 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -166.42 170.83 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -168.16 162.02 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -148.77 160.84 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.75 165.56 38.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.4 tt -170.39 169.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.1 176.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -171.76 172.18 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.78 168.54 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -171.12 170.06 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.18 178.7 41.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -178.66 146.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.19 166.88 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.45 164.47 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.599 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.92 148.86 7.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.44 8.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.9 t -171.72 155.75 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 177.4 99.85 0.12 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -158.33 164.88 35.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.65 175.02 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.3 p -177.82 169.11 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.37 168.7 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -177.46 165.73 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.11 162.59 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -174.81 159.99 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -174.97 150.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.87 175.08 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.74 166.26 26.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.8 136.67 2.07 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -163.29 144.76 9.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 125' ' ' VAL . 4.3 m-20 -179.42 167.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -92.07 169.9 32.58 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.6 t -99.85 108.58 52.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.1 Cg_endo -75.05 0.7 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -70.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.505 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 19.5 p -78.02 -33.99 50.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 108.329 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.05 -22.0 28.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.01 143.2 55.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.512 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -65.49 156.03 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 130' ' ' LYS . 58.5 t -129.92 116.15 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -166.74 -47.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.72 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.92 163.52 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 68.3 53.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.581 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -108.89 134.37 51.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.997 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -127.13 150.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 137' ' ' SER . 40.3 mm -127.42 116.18 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.55 9.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.699 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.01 62.62 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 41.13 33.9 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.127 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -136.0 167.47 21.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 44.5 t -128.45 150.24 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.997 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -169.67 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.579 ' CD2' HG22 ' A' ' 125' ' ' VAL . 44.7 m80 -70.27 125.75 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 141' ' ' SER . 2.2 ttpm? -65.7 75.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 0.4 OUTLIER 159.33 -44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -68.79 -23.12 64.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.049 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.48 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.27 135.78 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.939 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.6 t -58.15 126.67 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.15 34.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.0 OUTLIER -134.35 -45.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.21 -17.56 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 74.96 14.74 81.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 137.67 32.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 134.29 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -98.87 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -174.31 128.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.0 t 69.79 175.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -60.58 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 14.3 t -158.7 25.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -103.02 158.87 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -126.47 115.64 19.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 8.0 p-10 -95.64 87.44 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' HD2' ' CZ ' ' A' ' 174' ' ' PHE . 0.0 OUTLIER -122.08 140.52 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 47.41 62.71 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.01 35.35 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 14.0 mt-10 -136.23 152.73 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.049 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.7 pt -110.94 136.84 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 26.3 m-85 -141.52 -178.89 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 31.7 p -93.9 146.68 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -47.01 -40.6 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.42 -29.92 67.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 3.3 m -80.52 -47.42 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.707 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -59.3 -33.52 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.6 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 11.9 mttp -47.41 -60.94 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 95.8 m-20 -39.38 -38.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.0 OUTLIER -123.49 59.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.59 90.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.22 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -175.35 111.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -138.4 -108.38 0.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -52.48 157.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.58 179.42 49.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -137.18 154.16 50.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -127.9 -106.72 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -173.79 132.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -143.94 141.43 10.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -175.66 175.69 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 157.5 79.15 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -103.35 112.03 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.12 73.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.829 HD13 ' N ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -152.35 125.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.829 ' N ' HD13 ' A' ' 189' ' ' ILE . 65.6 t60 -127.15 -62.75 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 23.2 t -158.76 -58.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.483 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 57.74 4.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 174.55 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -163.14 161.91 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.75 134.31 3.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.2 -162.72 10.52 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.84 -168.04 13.42 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 123.4 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -68.99 116.84 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -78.95 106.52 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 4.73 61.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -94.02 -67.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.7 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 7.1 tt0 85.89 28.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -120.59 155.83 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.2 137.15 38.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.932 HG22 ' NE2' ' A' ' 31' ' ' HIS . 59.3 t -104.11 141.9 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -122.62 141.9 51.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -37.64 103.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.45 -53.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -148.85 52.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.0 127.63 35.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' HD2' ' A' ' 35' ' ' PHE . 39.4 t -110.79 117.94 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.6 156.26 18.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.47 74.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 64.88 -81.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -27.61 3.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 8.1 p -89.0 172.79 8.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.948 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -166.35 130.85 2.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 56' ' ' ILE . 1.9 m-85 -139.13 169.38 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.932 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.9 m80 -62.55 164.03 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 18.8 mttt -62.38 -48.85 77.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.9 p -89.73 40.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.2 m -126.42 -53.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -38.26 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.659 ' N ' HD11 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -150.05 133.1 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.6 t -45.08 114.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 12.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HD2' ' A' ' 57' ' ' TYR . 21.4 t -110.35 -71.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.9 p -75.53 -23.38 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 81.82 22.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 132.03 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.447 ' CA ' HD12 ' A' ' 36' ' ' LEU . 14.2 p-10 -55.28 147.52 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.999 HD13 HG23 ' A' ' 49' ' ' VAL . 88.8 mt -128.22 133.45 48.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.67 96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.1 t 178.96 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 47' ' ' THR . 1.2 m -169.59 64.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 47' ' ' THR . 1.6 t -179.03 44.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.999 HG23 HD13 ' A' ' 44' ' ' LEU . 1.9 p -115.35 159.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -148.59 165.98 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.57 164.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -159.83 131.53 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.63 -113.25 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.17 49.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.43 170.28 20.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.678 HG21 ' CE2' ' A' ' 30' ' ' PHE . 1.6 pt -117.81 144.38 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.655 ' CE1' ' CB ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -141.99 151.2 42.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.5 p -81.99 145.78 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -37.67 -65.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.0 -49.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' LYS . 18.4 m -63.64 -58.13 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.258 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -40.23 -53.06 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.1 72.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -64.53 -48.95 73.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -64.97 -52.04 58.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 10.8 m-85 -58.47 -27.65 64.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.17 78.39 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.83 5.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 128.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.47 59.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 176.79 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.02 172.79 39.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -164.91 137.57 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 171.75 179.59 42.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.95 160.2 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.78 152.0 6.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.3 170.3 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.01 139.44 2.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -166.39 146.49 6.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.69 136.14 32.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.75 135.51 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.8 t -96.87 130.54 44.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -113.14 119.97 39.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -172.45 129.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.25 107.9 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.75 126.17 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -109.66 102.22 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.81 116.04 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.68 0.59 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 61.89 119.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -138.19 156.12 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.51 166.91 10.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.32 142.49 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.19 72.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.07 125.02 2.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.28 123.73 26.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -105.86 149.34 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.99 -62.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -179.19 148.81 0.55 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 102' ' ' ASN . 4.3 t -120.47 -49.05 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 101' ' ' THR . 61.7 t-20 178.53 99.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 92.86 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.806 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.13 167.46 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.33 105.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.0 p -176.96 105.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.68 144.5 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.4 ptp -176.84 143.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -132.76 150.2 52.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -113.29 115.61 28.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 176.63 7.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 112' ' ' VAL . 27.1 m -75.93 61.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.25 13.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.24 -73.3 0.27 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.8 p -61.22 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.09 -153.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -131.52 173.1 20.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.523 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 35.1 t -100.05 107.85 49.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.586 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -91.39 -69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -80.15 -36.14 35.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.98 -27.29 9.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 141.78 56.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' HIS . . . -54.39 165.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.948 HG22 ' CD2' ' A' ' 139' ' ' HIS . 53.2 t -135.9 117.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.4 t80 178.43 -50.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.26 78.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 58.92 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 67.03 51.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -115.24 133.19 56.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -128.52 146.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.3 mp -124.07 116.4 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.59 147.7 18.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.604 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.11 62.89 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 134' ' ' ALA . . . 36.84 36.54 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.44 169.45 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.559 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 8.4 m -126.64 145.78 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.002 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.08 -178.7 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.948 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.2 m80 -82.01 133.81 35.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.411 ' CG ' ' HB2' ' A' ' 154' ' ' SER . 0.0 OUTLIER -68.73 63.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -179.17 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 143' ' ' PHE . 9.3 m -61.22 -42.32 98.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -30.34 100.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 159.49 22.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 152' ' ' LEU . 40.4 t -77.09 127.97 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.91 -46.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.9 p -110.93 -16.66 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.45 -7.34 61.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -54.47 131.4 42.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.2 p -74.46 125.1 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -94.59 -174.1 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.71 64.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 140' ' ' LYS . 4.5 t 60.75 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 156' ' ' THR . 41.0 m 63.01 165.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 155' ' ' THR . 13.6 t 47.28 24.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -108.55 125.59 51.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.706 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -90.73 143.71 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.604 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.0 OUTLIER -131.47 99.18 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.5 OUTLIER -87.86 94.04 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 60.64 -82.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . -117.75 -31.05 1.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.2 mp0 -72.54 155.72 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.786 HD13 ' CE1' ' A' ' 143' ' ' PHE . 2.9 pt -128.78 138.54 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 31.8 m-85 -145.16 -175.15 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.3 p -96.77 143.87 27.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -47.31 -39.03 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.32 -29.92 66.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -81.19 -47.72 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.6 -33.61 70.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.63 -64.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 22.4 mtmt -47.25 -63.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.43 ' OD1' ' CE1' ' A' ' 174' ' ' PHE . 37.5 t-20 -38.69 -37.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.4 m-85 -120.25 59.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -129.93 -85.5 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.59 139.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -171.59 -172.53 37.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.7 164.7 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -167.35 147.02 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -145.29 166.04 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -130.97 177.76 18.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.54 150.29 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.58 25.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -164.58 175.14 10.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -116.05 -168.77 15.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -169.04 157.8 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.44 -64.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 62.73 120.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -127.57 160.96 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.545 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.51 169.42 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.486 0.184 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.48 14.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -143.93 166.74 24.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -108.66 155.2 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.15 -140.0 6.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.82 -154.95 6.5 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.37 -150.75 8.1 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' OE2' ' A' ' 22' ' ' GLU . 4.9 tttm -137.64 -178.68 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 117.34 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t -78.63 107.87 11.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.14 61.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 13' ' ' CYS . 2.1 t -95.49 -68.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.521 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.1 p -78.2 -24.69 47.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 9.5 tm0? 84.98 27.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -118.4 145.88 44.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 137.07 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.99 HG22 ' NE2' ' A' ' 31' ' ' HIS . 7.4 t -94.33 143.66 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 18' ' ' TYR . 61.7 t80 -92.39 46.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.4 t80 37.63 89.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 175.8 -63.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.5 tt0 -82.75 -28.03 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' HB2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.87 133.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 21' ' ' GLU . 44.6 t -127.89 117.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' SER . 18.5 pt20 -104.42 153.58 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -166.31 101.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' CYS . 8.1 tt0 38.29 74.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.97 -46.06 3.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 25.2 p -52.01 148.17 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.43 84.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 28' ' ' SER . 0.5 OUTLIER -128.66 161.58 29.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.99 ' NE2' HG22 ' A' ' 17' ' ' VAL . 60.1 m80 -58.3 156.45 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 tptt -50.57 -57.0 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.8 t -60.19 -42.09 94.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -56.8 -38.65 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.888 ' CE1' HG21 ' A' ' 49' ' ' VAL . 5.7 t80 -71.8 74.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -138.0 132.39 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 45.1 t -41.82 115.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.444 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 3.5 mmt -78.1 14.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -112.55 -71.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 37' ' ' CYS . 9.3 p -75.54 -23.56 56.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.0 tttp 80.47 23.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.44 133.42 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 36' ' ' LEU . 36.0 t30 -49.84 144.76 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.093 HD13 HG23 ' A' ' 49' ' ' VAL . 13.0 mt -122.52 149.0 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER 162.85 147.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 109.356 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.73 67.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m 50.39 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 47' ' ' THR . 2.3 m 84.27 -44.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.093 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 p -64.98 146.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -126.04 166.03 17.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -116.17 143.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -152.35 130.32 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.35 -111.59 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.3 51.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 0.809 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 0.2 OUTLIER -167.17 166.0 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.621 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -111.92 148.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.621 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 3.0 m-85 -146.84 126.55 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 44' ' ' LEU . 26.3 p -59.19 148.35 31.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 60' ' ' SER . 3.8 ttpt -38.0 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -31.82 -69.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' LYS . 56.2 m -42.1 -58.19 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -43.92 -50.84 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.8 -23.21 72.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.4 tttp -74.89 -48.08 26.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.786 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -62.34 -44.97 95.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 10.7 m-85 -68.22 -47.44 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.61 98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.79 5.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.51 158.28 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.77 -174.88 39.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -173.79 176.42 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.59 -169.61 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.14 176.28 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.99 -165.39 13.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.06 170.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.03 -174.52 33.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.64 175.42 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.08 -165.04 13.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -168.29 163.75 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 176.11 9.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.96 144.32 9.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 t -140.11 146.95 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -149.63 167.04 27.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.95 176.23 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 -171.12 30.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -178.75 170.65 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 t -178.66 170.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.66 176.4 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.28 152.5 6.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 tt -172.65 149.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.68 157.88 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -174.05 157.41 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -178.14 168.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 179.33 171.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 170.61 165.8 28.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 171.02 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 170.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 174.33 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 148.87 6.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.35 6.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.5 t -140.11 163.52 32.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -138.41 132.67 16.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 179.1 6.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -179.89 148.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -171.38 175.89 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.8 p -178.0 170.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.37 153.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.38 167.9 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.17 176.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 156.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.48 156.92 8.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -174.26 157.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.51 173.74 40.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.86 -169.68 12.14 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 158.38 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -157.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' O ' ' HD3' ' A' ' 119' ' ' PRO . . . -129.35 171.32 20.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 45.1 t -97.41 109.48 50.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.98 -6.58 18.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -66.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 17.1 p -80.55 -41.72 23.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.275 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.9 -25.16 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -56.15 -173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.5 160.07 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.917 HG22 ' CD2' ' A' ' 139' ' ' HIS . 93.1 t -134.19 123.37 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.82 -67.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.638 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -152.9 178.85 9.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 80.03 -54.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -131.5 43.37 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.617 ' HG3' HG12 ' A' ' 125' ' ' VAL . 8.7 tttm -101.83 123.51 45.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 138' ' ' TRP . 5.8 p -123.58 149.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.4 mp -129.95 115.41 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.83 150.78 22.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.648 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 50.61 47.41 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 49.87 37.53 28.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -145.46 173.31 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.606 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 5.9 p -128.43 149.59 50.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.04 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -167.15 175.25 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.917 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.9 m80 -73.96 129.0 36.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -58.34 -15.8 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 -51.94 5.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' PHE . 7.2 m -68.4 -59.19 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' A' ' 164' ' ' ILE . 4.6 t80 -34.36 100.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -143.46 158.35 43.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.624 ' HB2' HD21 ' A' ' 152' ' ' LEU . 41.8 t -50.73 125.8 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.28 32.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -133.45 -46.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 8.6 p -111.11 -27.5 8.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 108.289 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.19 17.36 50.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -81.37 115.88 20.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 1.1 t -48.09 149.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -156.33 174.73 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 153' ' ' GLU . 0.5 OUTLIER -159.37 -43.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 153' ' ' GLU . 0.3 OUTLIER -174.45 -177.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 156' ' ' THR . 8.8 t 40.33 42.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 167.22 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.435 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 1.043 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.1 OUTLIER -66.79 155.43 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 1.043 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -134.83 104.99 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.648 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 1.7 p30 -88.53 102.35 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 79.11 9.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.71 -76.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -125.82 -2.12 7.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 3.4 mm-40 -101.78 168.05 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.836 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.0 pt -137.03 137.05 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 50.6 m-85 -150.07 -174.16 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 169' ' ' CYS . 21.1 p -100.8 151.48 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -41.62 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -59.02 -30.21 66.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -82.48 -47.91 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.577 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.4 t80 -57.8 -32.68 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.38 -60.69 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 173' ' ' ASN . 12.3 mtmt -47.61 -61.19 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 172' ' ' LYS . 10.7 m-20 -39.57 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.8 m-85 -122.79 61.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -126.85 85.2 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.5 11.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 171.34 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -89.42 162.69 30.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.39 165.87 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -176.83 170.43 43.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -175.69 133.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 173.67 117.13 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -136.92 162.73 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 139.71 149.42 5.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -146.75 149.85 34.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -66.86 163.84 43.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -93.89 68.38 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.05 72.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 4.9 tt -59.64 148.33 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 62.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.586 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.4 79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.958 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.496 0.189 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.03 28.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.38 99.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -178.27 161.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.27 -168.61 16.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.07 -173.56 32.88 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.56 -156.97 8.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' NZ ' ' H ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -117.81 -179.5 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -129.41 117.49 20.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 49.8 t -81.97 106.22 13.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.45 5.19 61.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -94.7 -67.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.4 p -81.46 -23.44 37.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 84.34 28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.7 151.33 37.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.11 140.92 49.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.962 HG22 ' NE2' ' A' ' 31' ' ' HIS . 39.6 t -104.67 157.36 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -91.31 -79.52 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 177.14 167.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . 74.17 -68.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.57 -28.46 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 17' ' ' VAL . 89.1 mt-10 -38.85 136.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 35' ' ' PHE . 72.1 t -122.47 117.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.18 162.34 25.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 111.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.43 54.96 3.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -175.35 161.25 2.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 77.7 p -167.16 123.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -135.5 175.72 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.962 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.2 m80 -61.23 177.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -80.12 -52.82 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -66.63 -36.18 81.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -56.53 -40.16 74.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 23' ' ' VAL . 6.4 t80 -62.03 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -139.04 132.52 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.747 ' HB2' HD11 ' A' ' 44' ' ' LEU . 42.3 t -46.55 115.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.73 12.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.922 HG23 ' CD1' ' A' ' 57' ' ' TYR . 22.0 t -110.11 -70.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -77.12 -25.57 52.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.672 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.84 24.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.96 129.66 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -62.24 145.96 52.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 37' ' ' CYS . 4.4 mt -129.36 145.22 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.53 81.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.1 p 57.85 112.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 177.64 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.595 ' H ' HG23 ' A' ' 47' ' ' THR . 10.1 t -175.0 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG11 ' HE2' ' A' ' 35' ' ' PHE . 3.4 p -78.29 159.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -132.68 165.13 25.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.48 142.75 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.554 ' CD2' ' HH ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -149.92 119.94 7.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 -94.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -141.57 43.09 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 0.814 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 11.3 mt-10 -152.09 159.06 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -108.78 140.02 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.922 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.2 m-85 -145.2 127.0 15.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 p -56.91 150.59 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' SER . 7.8 tmtt? -37.15 -68.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' LYS . 24.5 m -33.02 -69.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' LYS . 60.3 m -43.25 -55.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.296 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.622 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -44.04 -55.53 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.6 -17.64 67.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -75.65 -52.72 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -46.37 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.554 ' HH ' ' CD2' ' A' ' 52' ' ' HIS . 18.2 m-85 -66.67 -48.72 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.53 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.29 4.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 176.42 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.59 -165.02 10.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.05 174.27 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.52 -174.73 35.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.44 175.18 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.81 -169.92 27.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -161.99 170.47 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.88 -159.53 8.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.86 175.98 4.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.735 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.17 -162.21 9.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -167.87 153.12 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -135.56 159.44 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.0 m -145.03 170.48 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -144.82 165.39 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -153.72 167.42 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 176.62 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.42 -175.73 34.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.09 171.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -179.73 167.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.42 176.77 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.24 151.47 8.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.5 tt -173.33 153.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.95 164.22 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -165.82 168.68 15.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.94 160.6 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.67 166.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.04 156.3 13.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.65 158.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.797 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 t 177.86 155.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 157.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -165.72 120.22 0.93 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.35 4.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 m -132.47 149.42 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -101.34 132.72 21.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.39 4.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -127.3 162.71 25.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.38 170.89 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 169.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.06 145.48 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.7 ptm -119.55 162.6 18.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -144.96 170.75 15.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -166.28 164.18 17.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.15 164.71 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.2 p -170.37 162.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.16 82.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.5 174.06 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.63 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.946 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.02 -153.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.89 172.3 23.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.5 t -100.29 108.11 50.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.4 Cg_endo -74.97 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -93.65 -70.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -77.89 -33.18 52.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.01 21.62 20.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.86 133.18 53.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.769 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.412 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -43.32 155.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.872 HG22 ' CD2' ' A' ' 139' ' ' HIS . 79.7 t -134.06 119.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 41.0 p90 -178.05 171.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 71.93 -78.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.94 48.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 66.83 51.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 125' ' ' VAL . 0.0 OUTLIER -125.12 90.24 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -81.96 149.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.3 116.68 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.85 153.45 25.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 46.51 52.71 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 43.89 42.14 6.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -149.51 165.69 31.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 20.6 m -123.83 139.69 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -157.99 174.23 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.872 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -75.87 127.6 33.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -56.42 -18.06 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -52.2 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.98 -59.74 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.935 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -32.28 103.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.69 143.67 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 t -41.91 126.66 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.89 33.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.423 ' HD2' ' CD1' ' A' ' 165' ' ' TYR . 6.7 mttt -133.76 -46.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 15.0 p -110.6 -25.56 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 88.37 20.97 46.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.04 115.91 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.8 p -60.43 141.98 55.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -174.51 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 140' ' ' LYS . 4.2 pt-20 -164.48 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 155' ' ' THR . 60.0 p -134.77 137.65 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 154' ' ' SER . 77.0 p 44.36 -168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 157' ' ' LEU . 25.8 m 70.54 -55.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.934 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -46.93 172.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.934 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -146.87 120.56 9.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 1.5 p-10 -92.86 101.68 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 99.61 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.9 t0 43.1 57.15 3.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.73 -46.69 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 19.0 mm-40 -53.13 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.935 HD13 ' CE1' ' A' ' 143' ' ' PHE . 4.5 pt -133.75 131.7 56.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 53.9 m-85 -143.76 -171.84 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' CYS . 26.5 p -102.71 142.34 34.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 -42.81 5.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -55.93 -33.02 59.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.5 m -79.85 -47.42 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.06 -31.5 65.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -81.07 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 173' ' ' ASN . 27.9 mttt -45.78 -59.03 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 172' ' ' LYS . 11.8 m120 -38.45 -43.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 2.1 m-85 -132.06 62.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -174.9 65.72 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.75 5.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -129.96 -62.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 170.85 94.55 0.1 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -170.65 51.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -80.7 152.48 33.6 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -142.28 173.14 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 165.23 114.64 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -111.08 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 126.02 -109.53 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 64.14 152.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.75 170.96 28.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 189' ' ' ILE . . . -175.67 -61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.76 -66.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.441 HD11 ' HB1' ' A' ' 187' ' ' ALA . 2.7 mp 65.69 89.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -124.71 147.48 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 93.6 p -63.78 114.17 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.941 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.521 0.201 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.24 4.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.16 149.2 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -97.96 118.9 35.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.53 -62.88 2.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.91 135.82 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.4 -99.3 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.67 178.02 5.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -123.22 114.42 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.6 t -80.38 105.91 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.99 5.66 61.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.4 t -93.79 -65.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.559 ' N ' HG12 ' A' ' 12' ' ' VAL . 28.4 p -83.94 -22.86 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 83.67 29.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.94 158.0 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 135.86 37.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.817 HG22 ' NE2' ' A' ' 31' ' ' HIS . 60.7 t -98.42 155.42 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -141.06 153.83 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 28.3 t80 -53.56 98.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 180.0 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -146.92 51.29 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.669 ' HG3' HG11 ' A' ' 17' ' ' VAL . 4.4 tt0 -92.31 134.18 35.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.704 HG11 ' HD2' ' A' ' 35' ' ' PHE . 52.9 t -120.08 117.82 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.89 156.99 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -140.52 141.7 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.27 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' CYS . 2.6 mm-40 -36.84 -52.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.5 48.29 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 176.53 -177.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 94.2 p -172.7 129.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.808 ' CD1' HG23 ' A' ' 12' ' ' VAL . 3.8 m-85 -145.36 175.59 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 17' ' ' VAL . 77.8 m80 -69.01 171.49 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.6 tmtt? -69.73 -42.68 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -90.65 37.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -127.85 -47.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.255 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.747 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -52.1 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 ' C ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -152.16 129.69 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 44' ' ' LEU . 48.3 t -48.95 111.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.2 9.3 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG23 ' CD1' ' A' ' 57' ' ' TYR . 35.3 t -105.93 -73.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.9 p -73.4 -25.07 60.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER 84.3 24.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.25 128.91 44.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 36' ' ' LEU . 7.1 m120 -60.89 144.31 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.99 HD13 HG23 ' A' ' 49' ' ' VAL . 17.3 mt -125.32 139.81 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.6 83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.46 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 169.35 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 46' ' ' SER . 35.0 p -153.96 -171.02 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 47' ' ' THR . 1.7 p 54.97 27.32 9.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.99 HG23 HD13 ' A' ' 44' ' ' LEU . 5.4 p -106.38 152.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.687 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -136.37 165.74 25.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 52' ' ' HIS . 4.1 t -120.11 174.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.619 ' H ' HG12 ' A' ' 51' ' ' VAL . 37.7 t-80 -169.5 95.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.42 -125.0 24.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -91.8 35.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -148.53 154.97 40.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.809 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -118.51 144.33 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.7 m-85 -143.4 148.85 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.48 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.5 p -84.58 156.05 21.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -39.18 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 59' ' ' LYS . 19.0 t -32.17 -69.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 40.1 m -41.88 -58.43 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.687 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.67 -55.03 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.21 -20.08 62.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -78.86 -47.2 17.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -52.77 46.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -67.64 -48.42 66.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 41.61 81.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -128.76 135.46 49.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.4 -161.3 37.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 165.88 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -172.19 172.32 44.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -172.13 170.47 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.15 -154.45 6.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.95 163.95 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.34 -158.56 26.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.59 105.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.69 155.09 16.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -160.62 134.52 7.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.54 121.97 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.5 p -173.3 122.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -127.73 157.82 39.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 p30 178.56 162.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -170.85 146.53 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.43 175.84 22.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -165.69 145.54 6.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.38 147.57 25.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.452 HD13 ' H ' ' A' ' 89' ' ' GLY . 0.2 OUTLIER -140.23 147.99 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.452 ' H ' HD13 ' A' ' 88' ' ' LEU . . . -143.01 152.04 23.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.75 147.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.14 163.24 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 14.2 p90 -158.7 149.9 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.48 150.9 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -173.58 147.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.47 126.49 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -177.32 131.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.0 p -175.97 121.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -177.29 150.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -156.33 137.64 9.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.54 36.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.9 t -172.54 122.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.76 141.18 1.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -166.03 149.09 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.14 153.2 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 170.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -155.52 145.47 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.06 168.84 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.6 170.05 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.59 153.43 31.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.36 133.38 25.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.43 146.38 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.18 128.66 1.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.15 160.39 32.68 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.21 130.19 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.99 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.511 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 1.6 m-20 -150.75 -154.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -139.66 172.07 23.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -100.49 108.01 51.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.482 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.06 -0.08 9.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.5 p -77.94 -33.48 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.6 21.99 17.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.54 135.37 50.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -45.24 155.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 139' ' ' HIS . 70.9 t -134.63 127.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -171.58 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -75.82 -166.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.46 152.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.44 55.25 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -124.73 124.43 42.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.963 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.7 p -129.58 146.38 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.7 mp -126.42 116.53 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.54 145.28 15.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.767 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.73 57.73 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.71 31.95 2.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -133.4 170.67 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.511 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -134.58 140.03 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.963 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.42 173.69 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.848 ' CD2' HG22 ' A' ' 125' ' ' VAL . 32.3 m80 -78.46 116.73 19.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -43.6 -26.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 139' ' ' HIS . 23.7 p -68.59 -55.6 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -67.74 -56.21 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.065 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -32.1 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' CYS . 6.6 ptm180 -135.4 152.29 51.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.538 ' HB2' HD21 ' A' ' 152' ' ' LEU . 38.5 t -46.27 126.94 8.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.68 33.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -46.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.5 p -110.22 -22.28 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.08 19.01 63.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 116.36 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 52.1 p -44.71 139.34 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.628 ' CD1' HD12 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -103.86 -173.7 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.7 p 46.91 -168.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 68.2 p -75.25 63.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.0 m -133.0 8.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.699 HD12 ' H ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -103.1 -175.1 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.699 ' H ' HD12 ' A' ' 157' ' ' LEU . . . -142.15 108.17 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.767 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -96.99 92.97 6.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 161' ' ' ASP . 0.1 OUTLIER -128.66 140.85 51.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 163' ' ' GLU . 17.4 m-20 47.84 64.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 38.48 28.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -127.17 152.88 46.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.065 HD13 ' CE1' ' A' ' 143' ' ' PHE . 8.3 pt -117.71 138.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 163' ' ' GLU . 50.5 m-85 -143.98 -175.91 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 169' ' ' CYS . 31.5 p -98.61 144.8 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.17 -39.79 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.17 67.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.4 m -81.99 -48.16 11.79 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.584 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.0 OUTLIER -58.69 -33.35 70.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.97 -62.86 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 173' ' ' ASN . 46.4 mttm -47.47 -61.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 172' ' ' LYS . 4.2 m-20 -39.59 -38.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.4 m-85 -121.97 59.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -125.64 76.67 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 168.44 24.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.92 63.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -134.55 155.72 22.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -175.53 113.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -145.28 -63.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.33 131.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -118.93 -154.6 9.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -121.57 -59.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -42.95 125.26 4.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -153.53 167.08 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 151.48 -158.39 27.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . 62.06 109.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.13 -62.52 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.41 66.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.99 171.2 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 3.0 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 176.66 164.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -160.76 161.63 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.09 162.31 12.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.71 175.74 42.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 170.92 39.17 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.31 178.28 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -129.92 115.0 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 49.4 t -70.27 106.76 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.339 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.71 5.39 61.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.5 t -94.69 -66.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.557 ' N ' HG12 ' A' ' 12' ' ' VAL . 27.6 p -82.63 -23.38 34.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 2.6 tt0 85.02 28.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -117.09 147.49 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.34 148.71 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.027 HG22 ' NE2' ' A' ' 31' ' ' HIS . 17.6 t -125.6 163.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.76 177.69 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.4 t80 -96.01 64.57 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 177.96 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -40.53 93.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HA ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -38.9 129.25 1.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.761 HG11 ' CD2' ' A' ' 35' ' ' PHE . 54.8 t -100.69 117.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 119.84 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -128.55 147.39 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -47.82 -60.79 2.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' HA3' HG11 ' A' ' 51' ' ' VAL . . . -52.34 -27.48 24.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 161.16 -173.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -110.33 133.78 52.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.7 m-85 -137.35 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.027 ' NE2' HG22 ' A' ' 17' ' ' VAL . 53.1 m80 -62.68 175.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.579 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' SER . 1.6 pttt -74.2 -47.67 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 4.3 t -72.36 -35.02 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 m -57.07 -40.53 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.778 ' HE1' HG21 ' A' ' 49' ' ' VAL . 5.6 t80 -67.26 78.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -138.67 136.84 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.538 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.4 t -50.15 114.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.55 10.83 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.967 HG23 ' CD1' ' A' ' 57' ' ' TYR . 39.9 t -106.5 -68.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.8 p -78.55 -25.42 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.1 tttp 85.85 23.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 128.09 48.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.419 ' CG ' HD12 ' A' ' 36' ' ' LEU . 3.0 m120 -57.58 144.59 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.862 HD13 HG23 ' A' ' 49' ' ' VAL . 11.5 mt -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.26 -64.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.79 79.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -158.88 86.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.886 HG22 ' HB2' ' A' ' 59' ' ' LYS . 20.9 m 53.19 62.65 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.862 HG23 HD13 ' A' ' 44' ' ' LEU . 9.9 p -103.42 150.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.69 165.56 21.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.528 HG11 ' HA3' ' A' ' 27' ' ' GLY . 4.0 t -120.64 165.61 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 38.2 t60 -166.11 108.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.36 -105.77 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -119.27 45.06 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.34 158.12 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -116.27 144.26 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.967 ' CD1' HG23 ' A' ' 39' ' ' VAL . 22.5 m-85 -143.93 132.13 21.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.742 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.3 p -68.95 136.7 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.886 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.6 OUTLIER -39.85 -60.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -35.22 -48.73 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 m -62.85 -54.89 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -45.05 -51.53 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.38 -24.61 76.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -71.84 -36.79 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -81.86 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 38.5 m-85 -57.65 -30.3 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.52 98.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.59 11.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 175.76 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.78 176.82 48.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.62 176.02 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.37 169.89 39.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.86 176.28 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.11 -177.97 41.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.6 mtm -179.34 169.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.75 173.8 46.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.13 -178.06 35.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.8 p -131.52 177.41 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.366 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.86 171.32 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.9 p -149.62 169.86 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.5 m -151.5 145.51 25.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.33 165.64 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 175.95 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.34 -169.06 21.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -172.59 169.84 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.7 p -165.13 170.02 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.948 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.7 mt -148.85 175.75 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.24 179.6 41.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 tt -164.7 173.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -166.88 173.32 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -173.91 173.56 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -173.22 165.52 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -179.78 156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.64 160.88 25.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -178.43 147.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 170.02 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -147.66 173.06 13.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -151.46 94.88 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.22 7.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 111.06 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.4 m -149.73 154.37 38.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -155.5 132.69 6.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.2 7.58 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -153.94 165.67 35.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -156.95 174.91 14.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -172.0 168.88 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -165.91 166.66 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.43 167.72 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.2 174.46 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -154.1 168.06 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.12 175.81 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.36 143.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.84 36.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -143.76 -176.08 17.47 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.8 m -164.32 171.99 14.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.2 OUTLIER -176.82 177.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -100.22 171.63 23.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 41.7 t -98.28 108.83 49.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.565 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -74.97 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -91.92 -69.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.456 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.0 p -79.25 -37.19 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.6 9.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -111.67 138.42 48.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -50.72 153.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.829 HG22 ' NE2' ' A' ' 139' ' ' HIS . 92.3 t -134.61 116.18 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -127.26 -161.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 128' ' ' ALA . . . -42.48 136.58 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 127' ' ' ALA . . . 66.67 133.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 60.96 43.02 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 125' ' ' VAL . 0.6 OUTLIER -132.82 98.3 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.0 p -89.2 152.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 90.0 mt -131.94 115.41 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.51 153.83 25.38 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 47.9 45.58 18.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 50.25 42.41 41.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 13.5 mttt -148.37 166.8 27.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 137.62 54.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -158.55 173.65 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.829 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.7 130.42 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -60.44 -14.52 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -50.71 8.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.78 -59.36 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.135 ' CE1' HD13 ' A' ' 164' ' ' ILE . 3.2 t80 -32.56 105.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 11.3 ptt-85 -150.58 145.53 25.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 37.2 t -42.6 127.16 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.55 34.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 0.1 OUTLIER -135.05 -46.53 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.9 p -110.14 -21.63 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 83.43 19.36 62.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 117.54 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 11.8 p -57.46 141.1 48.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.881 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -114.28 -174.98 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 154' ' ' SER . 2.6 tm-20 -172.81 56.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 153' ' ' GLU . 0.4 OUTLIER 38.97 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.7 m -157.26 -60.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.9 t -139.6 48.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.881 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -101.35 175.14 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.808 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -135.21 152.57 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 6.7 p30 -127.27 105.08 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.2 OUTLIER -101.45 95.46 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 160' ' ' LYS . 1.6 m-20 39.41 64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.82 -50.46 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 1.5 mp0 -52.98 156.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.135 HD13 ' CE1' ' A' ' 143' ' ' PHE . 3.6 pt -133.94 132.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 55.8 m-85 -143.1 -174.45 4.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 169' ' ' CYS . 23.9 p -97.76 151.99 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -46.54 -44.0 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.09 -29.37 62.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.1 m -80.81 -47.38 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.582 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.3 t80 -59.06 -33.29 70.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -79.25 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 173' ' ' ASN . 14.0 mtpt -47.8 -60.71 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.413 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 63.3 t-20 -39.99 -38.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 3.0 m-85 -122.81 58.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -123.14 83.54 0.36 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.33 10.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.48 149.97 26.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -153.16 -173.65 22.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -110.24 158.38 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -100.49 80.56 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -108.71 125.78 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 137.91 117.82 1.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.9 126.2 33.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -91.53 65.02 2.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 62.58 66.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.781 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -87.65 78.57 1.81 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -80.17 72.11 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.25 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 6.3 pt -98.71 173.65 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -56.87 157.48 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 29.6 p -93.06 -58.41 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.997 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.13 4.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -164.33 166.78 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -146.91 162.1 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.48 150.88 5.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.15 169.95 27.32 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.51 164.08 10.56 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.77 173.68 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.64 113.36 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.2 t -71.84 107.47 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.57 5.73 60.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.2 t -96.62 -66.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' N ' HG12 ' A' ' 12' ' ' VAL . 26.6 p -80.92 -22.88 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER 83.77 27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.4 144.94 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 140.96 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.033 HG22 ' NE2' ' A' ' 31' ' ' HIS . 19.0 t -109.41 140.68 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.09 145.78 45.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -37.26 102.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.84 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.9 pt-20 -134.69 -57.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 27.37 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 35' ' ' PHE . 55.2 t -85.44 118.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -71.98 164.6 25.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -161.61 76.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' CYS . 5.0 tt0 37.32 78.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.92 -47.17 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -78.39 175.34 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -164.85 110.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.2 m-85 -116.9 162.69 17.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.033 ' NE2' HG22 ' A' ' 17' ' ' VAL . 63.5 m80 -60.16 158.62 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.556 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HA ' HG21 ' A' ' 23' ' ' VAL . 6.0 tttt -52.16 -39.26 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.66 31.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 12' ' ' VAL . 53.4 m -132.21 23.85 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.7 t80 -122.35 71.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.4 tt -138.3 135.58 35.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' HD11 ' A' ' 44' ' ' LEU . 49.1 t -47.91 113.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 9.36 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.93 HG23 ' CD1' ' A' ' 57' ' ' TYR . 43.3 t -104.36 -68.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 12.2 p -78.76 -25.11 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER 85.8 23.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.28 127.18 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.544 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.6 p30 -54.07 148.05 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 49' ' ' VAL . 23.4 mt -122.99 141.62 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -139.9 -58.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.466 ' C ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -153.27 72.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 HG23 ' C ' ' A' ' 46' ' ' SER . 68.4 p -153.31 76.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' A' ' 59' ' ' LYS . 5.8 t 40.35 51.68 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 35' ' ' PHE . 3.3 p -78.12 144.99 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 57' ' ' TYR . . . -126.14 166.09 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.41 158.09 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 14.2 t-160 -162.81 114.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.18 -109.24 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.35 50.31 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.22 160.95 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.614 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.39 145.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.93 ' CD1' HG23 ' A' ' 39' ' ' VAL . 23.1 m-85 -145.29 131.29 19.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.651 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.1 p -69.25 140.93 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -38.37 -67.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -31.37 -56.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.81 -58.95 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -44.37 -59.82 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -21.56 55.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -40.21 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -73.75 -57.11 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -65.47 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.94 178.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.54 5.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -112.87 164.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.96 -164.41 24.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.71 170.01 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.57 -174.34 28.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -156.18 156.74 34.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.4 -169.99 12.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.08 170.62 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -159.91 -175.58 31.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.54 174.48 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.87 -163.34 9.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.9 m -148.81 159.31 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 110.407 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mp -117.56 168.98 9.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.73 169.76 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.8 p -146.66 163.89 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.32 167.37 25.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.89 170.66 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.44 160.32 29.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -176.82 145.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 p -169.93 152.12 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 pp -168.53 151.4 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.14 130.35 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 pt -150.87 166.53 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.53 159.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -149.94 156.15 41.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.0 144.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -160.53 148.42 16.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.21 153.94 11.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -174.09 144.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.1 t -169.79 158.53 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.93 172.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.04 148.81 30.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -142.41 157.95 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.97 130.74 20.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -157.94 125.39 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.86 169.88 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 167.26 30.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.72 125.86 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 tpp -159.84 121.39 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.31 174.55 15.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.66 143.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.48 117.45 6.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.13 139.23 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.29 -151.0 5.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.157 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.49 -135.41 6.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.5 m -87.68 154.13 20.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.8 -153.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -138.44 172.15 23.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.4 t -99.83 108.24 50.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.04 0.68 8.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -93.96 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.4 p -77.68 -32.68 53.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.34 21.67 21.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.78 134.1 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.413 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -44.57 155.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.846 HG22 ' CD2' ' A' ' 139' ' ' HIS . 68.9 t -134.34 124.26 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 8.7 t80 -170.58 136.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.2 -154.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.39 138.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.06 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -145.49 134.5 22.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.8 p -132.28 147.92 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.85 116.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.62 157.57 27.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.88 48.82 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 45.27 45.1 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.93 158.8 38.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.3 OUTLIER -115.02 140.88 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.991 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -159.78 174.33 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 108.027 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.846 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.4 m80 -76.72 128.57 34.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.465 ' CE ' ' HG2' ' A' ' 153' ' ' GLU . 10.2 ttpt -56.87 -17.62 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.92 -51.9 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.8 m -70.98 -59.01 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 108.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.755 ' HE2' HD22 ' A' ' 157' ' ' LEU . 2.0 t80 -32.79 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.542 ' C ' HD11 ' A' ' 152' ' ' LEU . 2.1 ptt180 -143.73 166.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.9 t -64.27 126.94 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.32 33.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -133.78 -46.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 11.7 p -110.23 -23.6 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.85 58.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -86.52 118.8 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 89.2 p -52.4 145.9 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.542 HD11 ' C ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -118.49 -174.31 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 140' ' ' LYS . 2.4 mt-10 -156.54 -66.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 166.64 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 155' ' ' THR . 53.7 m 38.99 48.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.3 m -169.07 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.755 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -62.31 169.69 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -143.27 115.7 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 6.0 p-10 -90.59 104.11 16.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 95.31 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 43.89 59.21 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 92.53 -45.65 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 47.2 mm-40 -56.09 163.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 143' ' ' PHE . 13.6 pt -136.99 135.49 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 52.3 m-85 -148.59 -174.02 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.0 p -100.58 147.8 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 108.331 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -43.81 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.47 -32.07 60.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.6 m -80.63 -47.95 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.408 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 2.5 t80 -56.65 -31.99 64.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.459 ' HA ' ' CA ' ' A' ' 175' ' ' GLY . . . -81.0 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 173' ' ' ASN . 6.3 mtpm? -45.83 -60.15 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.633 ' HB3' ' CD2' ' A' ' 174' ' ' PHE . 6.7 m120 -38.27 -42.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.633 ' CD2' ' HB3' ' A' ' 173' ' ' ASN . 3.6 p90 -179.04 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 174' ' ' PHE . . . 65.09 -145.42 49.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 171.0 19.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.32 -51.89 64.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 116.64 -177.6 16.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -171.52 130.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -164.3 141.68 7.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.67 143.99 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.97 169.71 52.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -155.35 60.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -102.65 78.53 0.33 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -107.92 99.64 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -93.21 104.45 3.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -126.23 94.67 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 17.6 tp -160.31 134.32 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 17.3 tt -101.58 160.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -125.74 167.55 15.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.622 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.42 164.2 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 179.982 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.521 0.201 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 t30 179.09 92.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -176.29 158.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.004 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.27 -162.51 10.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.08 47.77 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.88 -170.1 42.94 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 3.6 mttt -116.14 -177.42 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -123.3 126.75 47.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.0 t -83.79 108.64 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.84 4.62 60.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.88 -68.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.533 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -78.06 -24.86 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER 84.28 27.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 146.16 47.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 138.69 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.039 HG22 ' NE2' ' A' ' 31' ' ' HIS . 22.3 t -104.27 141.08 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.69 169.63 8.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.51 91.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 -60.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -113.9 -74.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HA ' HG11 ' A' ' 17' ' ' VAL . 7.9 tp10 39.43 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 ' CD2' ' A' ' 35' ' ' PHE . 52.9 t -91.99 117.58 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.05 155.81 40.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HG ' ' HE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -137.71 141.18 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -36.29 -53.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.82 47.14 1.03 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 171.78 -164.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.422 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 m -170.53 131.46 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.5 m-85 -140.12 173.89 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.039 ' NE2' HG22 ' A' ' 17' ' ' VAL . 52.4 m80 -66.25 174.62 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.8 tttm -67.73 -61.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 p -60.11 -34.85 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.2 m -56.21 -38.85 71.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -63.72 79.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -143.2 132.43 23.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 44' ' ' LEU . 47.5 t -45.02 115.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.74 15.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 37' ' ' CYS . 18.1 t -113.62 -71.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 10.5 p -75.82 -23.12 55.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.81 ' O ' HD11 ' A' ' 36' ' ' LEU . 6.5 ttmt 81.42 23.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -95.13 130.02 42.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.3 m120 -63.53 146.37 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 56' ' ' ILE . 6.2 mt -126.91 166.53 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 47' ' ' THR . 2.3 m-20 171.42 113.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.2 p 50.99 55.45 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 45' ' ' ASP . 66.4 p -138.55 -149.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -88.59 18.97 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 35' ' ' PHE . 1.6 p -56.45 152.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.93 165.83 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG22 ' SG ' ' A' ' 25' ' ' CYS . 11.2 t -115.19 138.79 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 58.9 t60 -149.36 141.22 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.04 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.18 56.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -173.0 172.4 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.816 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -107.45 149.09 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 7.5 m-85 -148.25 125.36 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' LYS . 21.1 p -62.4 136.38 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 60' ' ' SER . 30.7 tptt -37.13 -62.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 59' ' ' LYS . 3.4 m -34.57 -50.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.1 m -62.17 -55.77 25.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 66' ' ' TYR . 3.1 t80 -43.16 -50.39 6.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.44 75.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -68.44 -56.95 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -62.25 -47.03 86.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.719 ' CZ ' ' CE2' ' A' ' 62' ' ' TYR . 4.1 m-85 -60.34 -37.03 79.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.58 98.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.41 6.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.95 176.43 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.74 -179.25 45.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.15 175.68 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.24 173.83 36.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.46 176.62 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.48 -172.87 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.07 167.45 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.38 -152.59 9.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.29 172.28 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -145.89 -166.75 12.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 t -172.4 163.45 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pp -149.87 176.4 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 p -158.82 169.55 24.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -152.08 135.93 16.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -101.89 164.69 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 169.31 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.91 13.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.78 169.89 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -135.46 168.95 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.63 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -112.38 -149.9 11.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -152.6 142.5 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.84 167.55 13.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.78 170.02 16.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 29.7 tt0 -164.37 144.1 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -177.74 156.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.62 8.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.5 143.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 t -179.88 124.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -177.8 142.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -171.21 120.05 0.48 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.39 4.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -169.31 156.13 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -171.95 92.82 0.41 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -159.64 167.26 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.45 175.5 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -174.02 169.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.92 165.82 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.1 ptm -151.22 170.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.82 175.54 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -111.04 171.33 7.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -107.74 170.82 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -82.52 175.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.9 -140.32 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.57 134.75 3.95 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 m -149.55 161.54 41.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.5 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 5.3 m-20 -150.71 -157.02 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -137.76 171.69 23.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.1 t -99.75 108.89 53.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -70.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 25.7 p -79.26 -33.59 43.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.08 -26.55 14.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.21 138.53 57.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 0.72 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.71 165.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.9 HG22 ' CD2' ' A' ' 139' ' ' HIS . 71.6 t -136.25 123.64 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 14.7 t80 -171.06 135.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.64 -151.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.52 137.92 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 72.11 57.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 128.07 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.016 HG12 ' O ' ' A' ' 138' ' ' TRP . 8.4 p -128.62 149.58 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 5.1 mp -130.03 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 149.78 21.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 47.02 55.44 8.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.26 38.97 5.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -144.14 173.17 11.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.5 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 2.9 p -132.96 144.14 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.016 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.5 176.93 11.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.9 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.0 m80 -78.34 127.18 31.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -18.76 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.2 p -79.48 -53.16 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 143' ' ' PHE . 4.0 m -69.75 -59.71 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.829 ' HE2' HD22 ' A' ' 157' ' ' LEU . 3.9 t80 -33.62 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 142' ' ' CYS . 16.7 mtt180 -128.03 170.64 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.773 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.2 t -72.5 128.34 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.18 34.91 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.28 -46.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 9.4 p -111.02 -26.55 9.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 87.75 19.93 52.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 130.16 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.426 ' HA ' ' CG ' ' A' ' 144' ' ' ARG . 0.1 OUTLIER -50.19 144.07 7.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.027 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.4 OUTLIER -110.36 -173.12 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.76 174.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.9 t -50.8 149.32 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.5 m 39.14 65.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.51 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.829 HD22 ' HE2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -71.76 169.53 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.78 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.02 98.67 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.728 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -86.1 104.27 15.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 76.78 9.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.62 -76.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -121.96 -13.89 4.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.6 mm-40 -92.3 168.29 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 143' ' ' PHE . 6.4 pt -137.32 135.55 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.3 m-85 -148.36 -173.29 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.4 p -99.64 148.91 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.291 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.48 -43.87 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.45 -32.16 60.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.2 m -80.51 -47.18 14.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.595 ' CG ' ' HB1' ' A' ' 158' ' ' ALA . 1.5 t80 -57.15 -32.02 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 175' ' ' GLY . . . -82.23 -65.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 173' ' ' ASN . 4.1 mmtm -45.28 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 174' ' ' PHE . 3.0 m120 -38.08 -44.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 173' ' ' ASN . 3.9 m-85 -133.78 63.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . -37.6 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.9 11.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.38 80.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.7 t80 52.99 171.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -177.79 91.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -95.88 139.33 32.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -149.08 79.88 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -174.92 56.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.796 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -69.4 126.3 18.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -166.51 131.34 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -150.93 76.62 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -101.74 126.81 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.87 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 189' ' ' ILE . 3.0 mp -97.49 69.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 17.4 t60 41.03 77.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.594 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 32.8 m 61.94 170.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.971 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.534 0.207 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.98 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -179.96 166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -174.94 156.7 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.22 156.23 9.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.29 179.25 47.5 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.16 179.31 41.63 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 179.55 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -121.62 121.62 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 47.5 t -80.93 105.54 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.251 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.43 6.29 61.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 30' ' ' PHE . 1.8 t -94.2 -65.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' HG12 ' A' ' 12' ' ' VAL . 29.0 p -84.52 -23.0 29.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.6 tt0 83.84 29.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 175.46 5.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.81 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.855 HG11 ' HG3' ' A' ' 22' ' ' GLU . 98.2 t -109.24 135.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 4.7 t80 -113.93 123.1 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 18' ' ' TYR . 18.2 p90 -37.51 102.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 174.57 -50.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 32' ' ' LYS . 4.7 pt-20 -134.5 44.57 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.855 ' HG3' HG11 ' A' ' 17' ' ' VAL . 6.4 tt0 -92.06 132.59 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 32' ' ' LYS . 74.3 t -120.11 117.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -97.2 161.61 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.84 170.57 20.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.01 110.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.45 54.81 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -171.04 168.73 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 50.3 p -169.86 123.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.695 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -138.28 165.03 27.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.756 ' NE2' HG22 ' A' ' 17' ' ' VAL . 73.2 m80 -59.92 155.03 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.632 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.4 ptmt -52.21 -36.58 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -93.93 23.57 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 12' ' ' VAL . 35.4 m -127.08 31.41 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.851 ' HE1' HG21 ' A' ' 49' ' ' VAL . 1.8 t80 -133.59 87.3 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.78 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -141.55 133.36 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 39' ' ' VAL . 44.4 t -45.4 114.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 14.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 57' ' ' TYR . 15.7 t -113.51 -72.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 9.5 p -74.5 -24.34 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER 83.63 21.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 126.98 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.51 147.77 52.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -124.88 163.69 21.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.96 -66.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 p 170.16 110.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.12 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 48' ' ' THR . 13.3 t -136.84 62.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.851 HG21 ' HE1' ' A' ' 35' ' ' PHE . 1.4 p -113.06 173.35 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -155.54 164.78 38.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.39 154.49 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -156.0 127.0 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.16 -117.74 3.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.83 47.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -159.31 165.3 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.715 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -114.52 148.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 2.0 m-85 -145.63 143.79 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.8 ' HB3' HD21 ' A' ' 44' ' ' LEU . 19.7 p -78.01 136.59 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' THR . 11.7 tttt -38.34 -61.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -34.14 -49.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.7 m -62.96 -57.1 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.327 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.633 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -43.02 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.66 -26.75 72.13 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -44.85 76.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -69.63 -55.72 9.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 62' ' ' TYR . 12.6 m-30 -58.22 -28.11 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' TYR . . . -37.48 98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.06 11.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.11 174.05 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.52 -177.58 47.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.1 176.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.37 -172.99 35.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.58 175.43 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -172.04 -175.29 40.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.19 167.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.95 166.09 24.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.1 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.04 174.03 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -171.51 -176.63 40.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -171.95 163.1 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.44 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -174.11 174.78 2.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.22 160.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -171.71 159.59 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -171.99 166.65 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.65 175.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.63 172.33 39.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.43 166.2 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -177.35 168.42 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -176.39 175.7 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.32 -178.75 47.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 tt -173.02 170.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -176.45 175.6 1.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -173.48 171.5 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -178.18 168.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -178.23 170.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.52 173.35 41.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -178.41 169.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 p 178.42 167.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 166.76 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.84 95.0 0.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.83 9.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -171.73 158.98 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 176.77 99.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 175.31 161.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -175.1 175.96 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 161.56 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.24 165.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.23 170.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.28 164.68 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -177.3 167.28 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.5 160.61 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 113' ' ' GLY . 8.7 p -174.4 168.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 155.29 159.76 9.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.11 150.37 6.02 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.75 150.77 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' CB ' ' OG ' ' A' ' 137' ' ' SER . 0.8 OUTLIER -160.67 -153.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.51 172.13 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 36.6 t -99.42 108.93 52.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 -2.35 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.16 -70.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 24.6 p -79.41 -34.84 41.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.52 -25.92 14.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -61.15 141.57 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 163.2 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.86 HG22 ' CD2' ' A' ' 139' ' ' HIS . 90.0 t -134.94 117.11 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -159.7 139.18 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.496 ' O ' ' CD ' ' A' ' 130' ' ' LYS . . . 66.34 -157.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.04 134.45 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 77.67 61.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -146.11 93.04 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.9 p -84.73 149.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 137' ' ' SER . 34.6 mm -127.02 116.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.54 146.25 15.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 159' ' ' ASP . . . 45.68 59.54 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 39.89 39.48 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -140.47 168.75 19.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -128.73 137.7 51.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.958 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -156.3 175.38 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.86 ' CD2' HG22 ' A' ' 125' ' ' VAL . 38.5 m80 -79.75 127.61 32.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.13 -16.81 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -51.99 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.502 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.3 m -72.19 -59.68 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' A' ' 164' ' ' ILE . 2.2 t80 -29.24 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 151' ' ' SER . 6.6 ptt180 -139.21 168.58 19.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.63 ' HB2' HD21 ' A' ' 152' ' ' LEU . 42.2 t -63.95 125.88 25.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.42 31.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -46.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.4 p -111.0 -26.45 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.29 20.67 44.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -88.19 118.09 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 144' ' ' ARG . 98.3 p -49.64 145.65 4.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -120.57 -173.68 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -141.3 -65.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.504 ' HA ' HD23 ' A' ' 157' ' ' LEU . 7.4 t -175.89 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 156' ' ' THR . 23.5 m -81.1 67.21 6.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 155' ' ' THR . 0.9 OUTLIER 169.46 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -70.42 173.62 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.702 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -139.06 111.04 7.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 0.5 OUTLIER -90.48 93.64 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 162' ' ' GLY . 0.0 OUTLIER -91.28 -163.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.92 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 160' ' ' LYS . . . 44.73 34.72 3.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 5.7 mm-40 -136.77 162.35 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.895 HD13 ' CE1' ' A' ' 143' ' ' PHE . 18.4 pt -130.69 136.67 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 46.5 m-85 -146.63 -173.65 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 169' ' ' CYS . 24.5 p -101.35 150.03 23.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.534 ' HE2' ' HB2' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -45.86 -43.79 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -57.66 -30.31 62.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.3 m -81.89 -47.56 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.556 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.8 t80 -57.84 -32.56 67.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.534 ' HB2' ' HE2' ' A' ' 167' ' ' LYS . . . -81.29 -61.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 173' ' ' ASN . 8.7 mtpt -47.32 -60.74 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 172' ' ' LYS . 99.1 m-20 -39.66 -39.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 171' ' ' ALA . 4.9 m-85 -123.28 58.16 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -153.28 97.27 0.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 156.76 43.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -114.54 142.49 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . -118.93 -149.06 8.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -149.93 172.48 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.52 -161.55 10.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.75 171.49 14.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -102.48 -167.35 26.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -149.2 170.93 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -109.67 -174.95 21.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.31 33.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -173.96 151.32 12.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.43 1.081 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -167.4 153.98 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 189' ' ' ILE . 0.2 OUTLIER -160.52 93.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 188' ' ' LEU . 1.9 tt 49.59 -177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 65.53 107.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 90.0 p 48.61 81.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.989 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.67 6.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.515 1.798 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 t30 174.86 130.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.8 162.11 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.18 152.64 5.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.7 167.63 20.58 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.59 159.51 8.82 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -179.84 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.75 121.93 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 41.5 t -81.89 107.74 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.04 4.55 61.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.0 t -95.48 -67.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.527 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.9 p -79.5 -23.24 43.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER 83.27 27.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 146.13 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.47 153.04 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.036 HG22 ' NE2' ' A' ' 31' ' ' HIS . 47.8 t -119.86 156.3 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.58 118.61 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 19' ' ' PHE . 25.0 p90 -37.61 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.52 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -111.2 -13.82 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.3 pt-20 -38.95 133.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 35' ' ' PHE . 53.4 t -116.11 117.19 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 165.67 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -148.79 145.44 27.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' CYS . 33.1 mt-10 -37.6 -52.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.84 48.7 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 176.44 -174.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 0.722 . . . . 0.0 110.002 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.465 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 48.3 p 179.46 117.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -135.41 172.33 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.036 ' NE2' HG22 ' A' ' 17' ' ' VAL . 36.7 m80 -59.19 175.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 10.5 ttpp -71.79 -55.57 7.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -66.13 -36.88 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.59 -39.74 74.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.867 ' CE1' HG21 ' A' ' 49' ' ' VAL . 6.6 t80 -66.74 78.22 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 43' ' ' ASN . 1.2 tt -138.62 134.51 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -44.93 115.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.468 ' CG ' ' HG2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -78.88 13.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 HG21 ' HD2' ' A' ' 57' ' ' TYR . 22.0 t -110.35 -70.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.0 p -76.86 -23.55 52.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.6 ' O ' HD11 ' A' ' 36' ' ' LEU . 30.2 tttt 81.43 24.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 126.25 50.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.735 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -47.48 146.09 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.988 HD13 HG23 ' A' ' 49' ' ' VAL . 32.1 mt -120.89 155.4 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -147.85 175.98 10.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 p -63.85 96.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 48' ' ' THR . 7.7 t -163.12 -50.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 47' ' ' THR . 11.8 t -170.09 39.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.988 HG23 HD13 ' A' ' 44' ' ' LEU . 7.7 p -85.82 146.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . . . -127.33 164.92 20.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 ' SG ' ' A' ' 25' ' ' CYS . 4.5 t -120.49 148.06 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -151.39 134.83 16.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.623 179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.79 -104.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.77 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 38' ' ' MET . 1.0 OUTLIER -167.37 168.85 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.631 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -107.74 149.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 56' ' ' ILE . 4.9 m-85 -146.92 136.18 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.895 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.0 p -74.05 135.84 43.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -37.34 -62.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -34.15 -50.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 11.2 m -61.5 -58.16 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.281 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -41.59 -52.1 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.85 -25.21 75.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -69.32 -57.91 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -46.54 90.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -61.17 -39.15 89.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.63 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.95 5.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.56 157.67 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.07 -176.5 40.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.29 170.45 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.57 179.24 37.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 173.2 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.57 175.37 47.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.46 168.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.02 169.72 36.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.65 175.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.38 164.24 26.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.58 1.175 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.5 t -172.09 164.09 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.84 167.87 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p 178.01 159.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -172.06 165.04 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 177.58 166.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 176.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.97 171.4 36.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.43 170.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.07 169.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.96 176.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.77 160.69 15.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -172.37 169.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.51 168.05 3.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -172.93 167.3 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.47 167.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 179.64 170.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.41 156.53 8.71 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -178.48 166.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.19 167.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 170.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.82 94.98 0.11 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.6 p -132.08 177.82 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.12 99.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 p30 177.75 154.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -176.23 164.07 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p 178.19 160.25 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -179.19 158.92 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -178.77 159.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -176.64 162.8 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -176.24 164.69 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.09 149.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -165.8 152.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.78 166.79 35.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 174.27 158.93 19.66 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -175.19 144.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.64 -156.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -127.65 172.0 18.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 34.3 t -100.92 108.27 53.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 137' ' ' SER . 18.2 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -70.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.492 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 22.2 p -77.52 -33.05 54.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.12 -23.61 26.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.42 140.82 58.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -58.91 161.58 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 ' CD2' ' A' ' 139' ' ' HIS . 89.2 t -134.31 123.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 37.1 p90 -174.59 120.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 126' ' ' TYR . . . 67.18 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.96 134.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.92 50.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.481 ' CG ' HG12 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -127.15 122.03 33.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.027 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.6 p -128.9 146.4 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 3.4 mp -124.05 116.08 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.33 140.99 9.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.788 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 48.49 56.26 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 44.85 36.47 4.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' ILE . 2.5 mttt -139.57 163.11 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.609 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 50.1 m -121.74 148.72 44.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.027 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -166.48 171.94 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.79 ' CD2' HG22 ' A' ' 125' ' ' VAL . 41.5 m80 -71.24 123.94 23.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 3.0 tttm -67.25 73.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 140' ' ' LYS . 3.2 t 162.82 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' PHE . 1.5 p -80.57 -28.03 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.331 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -34.18 100.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.99 155.37 20.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 165' ' ' TYR . 38.7 t -75.49 126.65 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.01 34.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.56 -46.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.0 p -109.92 -21.5 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.22 18.51 69.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.55 133.1 37.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.81 120.86 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.4 OUTLIER -94.72 -174.28 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -166.47 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.8 p -76.37 174.27 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 155' ' ' THR . 5.8 m -72.75 61.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 167' ' ' LYS . 98.6 m -123.01 31.12 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.4 OUTLIER -99.97 166.45 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.234 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.83 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -130.68 117.62 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.788 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 14.1 p-10 -95.45 89.36 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -124.71 139.63 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.3 t70 46.43 61.55 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 39.12 36.4 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.511 ' CB ' ' CZ ' ' A' ' 165' ' ' TYR . 4.1 mm-40 -134.77 152.03 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.874 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.4 pt -112.43 130.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 163' ' ' GLU . 34.7 m-85 -137.57 -177.08 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 169' ' ' CYS . 28.5 p -96.23 147.77 23.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 156' ' ' THR . 0.0 OUTLIER -46.52 -41.49 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.2 -30.88 64.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 166' ' ' CYS . 3.9 m -80.85 -47.33 13.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.648 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 2.1 t80 -58.26 -32.67 68.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.38 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 173' ' ' ASN . 5.7 mmtm -47.36 -60.92 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 172' ' ' LYS . 5.1 m120 -39.56 -38.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 2.2 m-85 -123.46 58.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.97 97.18 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.6 8.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.39 167.71 28.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.62 115.64 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -175.2 165.25 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 77.98 171.17 37.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -116.57 159.98 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -130.31 -66.82 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.28 141.58 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -156.84 -117.67 0.55 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 62.25 127.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -103.32 178.88 25.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -156.57 140.01 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 188' ' ' LEU . 2.6 pt? -106.82 160.07 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.02 148.23 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -113.81 117.54 31.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.602 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 11.1 m -82.63 121.94 27.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.979 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.461 0.172 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.78 5.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.808 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -158.49 119.37 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -96.54 162.04 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.18 46.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.83 -173.92 45.14 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . -167.77 -146.47 4.94 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -87.34 177.73 7.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -125.74 110.69 14.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 43.5 t -69.29 107.78 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.92 4.61 60.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.751 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -95.84 -68.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.544 ' N ' HG12 ' A' ' 12' ' ' VAL . 25.7 p -79.1 -25.62 43.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 8.7 tt0 86.44 27.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -119.76 145.95 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 134.56 48.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.047 HG22 ' NE2' ' A' ' 31' ' ' HIS . 21.7 t -99.35 119.52 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' CZ ' ' CB ' ' A' ' 20' ' ' ALA . 2.1 p90 -69.99 125.41 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' ' HA2' ' A' ' 7' ' ' GLY . 25.2 m-85 -37.8 105.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' CB ' ' CZ ' ' A' ' 18' ' ' TYR . . . -172.57 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -113.45 -74.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 2.0 tm-20 43.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.676 HG11 ' CD2' ' A' ' 35' ' ' PHE . 69.5 t -78.37 117.09 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.85 162.4 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.15 164.81 20.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.14 111.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.95 55.13 1.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -179.04 168.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.23 127.5 1.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -134.61 171.38 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.047 ' NE2' HG22 ' A' ' 17' ' ' VAL . 56.9 m80 -64.96 172.19 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -59.86 3.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -62.01 -35.22 77.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HB3' HG11 ' A' ' 12' ' ' VAL . 17.9 m -58.36 -43.44 88.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.758 ' HE1' HG21 ' A' ' 49' ' ' VAL . 4.6 t80 -67.26 78.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 ' N ' HD11 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -135.11 133.14 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 49.3 t -42.6 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.331 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 mmt -77.25 7.14 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.927 HG23 ' CD1' ' A' ' 57' ' ' TYR . 47.9 t -103.18 -72.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 11.9 p -74.16 -25.51 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 84.53 24.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.73 132.68 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.0 145.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 HG23 ' A' ' 49' ' ' VAL . 12.4 mt -122.19 144.01 49.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -138.15 175.81 9.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -67.91 104.41 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 48' ' ' THR . 10.2 t -167.57 -48.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.679 ' O ' HG23 ' A' ' 48' ' ' THR . 5.6 t -171.92 45.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.971 HG23 HD13 ' A' ' 44' ' ' LEU . 10.9 p -92.74 146.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.064 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -127.47 164.16 22.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 55' ' ' GLU . 3.4 t -123.7 151.55 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' CB ' ' OH ' ' A' ' 62' ' ' TYR . 13.6 t-160 -176.82 145.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.02 56.14 7.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.35 41.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 9.8 mt-10 -141.9 171.95 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -124.09 135.2 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CD1' HG23 ' A' ' 39' ' ' VAL . 17.5 m-85 -146.49 143.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.969 ' HB3' HD21 ' A' ' 44' ' ' LEU . 22.3 p -73.42 131.96 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -40.51 -52.9 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 58' ' ' CYS . 1.6 m -68.67 -55.55 11.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.064 ' CE2' ' HB3' ' A' ' 50' ' ' ALA . 3.9 m-85 -43.35 -51.25 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.41 80.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -61.97 -40.67 96.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -54.87 8.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 22.7 m-85 -57.44 -21.2 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.74 -178.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.48 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 166.32 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.61 179.38 16.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.4 166.08 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.81 -161.6 10.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.28 173.69 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.15 162.9 30.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.44 165.05 33.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.74 163.13 29.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.94 168.7 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.81 150.59 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -153.37 135.38 14.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tt -175.15 119.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.7 p -163.79 139.68 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 t -165.34 139.2 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.0 137.94 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.85 169.63 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.08 146.44 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -161.97 143.65 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 110.344 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -173.1 160.5 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.92 148.29 28.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.08 166.04 12.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 90' ' ' ILE . 1.7 tp -171.95 115.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 148.47 42.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.37 146.4 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -168.02 134.95 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.31 132.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.4 158.02 29.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -140.91 139.74 34.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.72 150.35 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -173.01 145.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.628 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.28 94.48 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.08 23.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -146.52 138.26 24.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.82 154.85 39.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.98 38.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.07 160.93 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.74 82.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.71 123.26 17.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.45 141.7 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 147.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.2 97.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -162.97 116.08 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -177.19 -52.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.28 152.49 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.19 -169.36 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -103.47 96.32 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 p -140.1 164.85 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER 175.78 175.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -94.6 170.91 30.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 139' ' ' HIS . 49.5 t -96.68 109.39 48.12 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.561 ' HG2' ' CE3' ' A' ' 138' ' ' TRP . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -67.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.515 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 15.1 p -82.05 -38.15 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.04 23.44 8.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.2 136.42 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.482 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -52.73 147.71 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.819 HG22 ' NE2' ' A' ' 139' ' ' HIS . 49.1 t -131.14 116.37 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.9 -51.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.62 -168.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.25 156.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.29 56.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 136.57 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 138' ' ' TRP . 9.9 p -132.6 147.03 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 132' ' ' ILE . 5.4 mp -126.23 115.56 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.79 153.2 25.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 159' ' ' ASP . . . 45.3 53.86 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 42.67 43.72 5.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.433 1.083 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -150.18 158.33 44.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 116' ' ' ASP . 6.1 m -117.94 139.0 51.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 0.972 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -160.02 171.96 18.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.819 ' NE2' HG22 ' A' ' 125' ' ' VAL . 44.6 m80 -74.94 127.93 34.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -18.49 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -76.76 -52.69 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.9 m -69.24 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.096 ' CE1' HD13 ' A' ' 164' ' ' ILE . 1.3 t80 -33.79 103.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 140.86 28.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.416 ' HB2' HD21 ' A' ' 152' ' ' LEU . 37.3 t -41.48 126.95 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -88.71 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.2 -46.56 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 12.3 p -110.07 -19.55 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.01 18.62 71.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 119.58 24.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 86.4 p -56.24 140.3 45.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -108.02 -175.0 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 178.84 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 176.31 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 155' ' ' THR . 7.9 t -73.19 58.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.783 HG23 ' HD3' ' A' ' 167' ' ' LYS . 26.6 m -130.8 33.14 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.908 HD12 ' N ' ' A' ' 158' ' ' ALA . 0.7 OUTLIER -109.13 -178.56 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.908 ' N ' HD12 ' A' ' 157' ' ' LEU . . . -145.13 117.23 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 134' ' ' ALA . 12.9 p-10 -93.38 99.79 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.51 96.66 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 41.35 58.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 94.89 -49.53 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 2.1 mt-10 -52.23 158.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.096 HD13 ' CE1' ' A' ' 143' ' ' PHE . 5.8 pt -133.83 133.21 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 54.1 m-85 -144.4 -175.3 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 169' ' ' CYS . 22.8 p -98.49 148.89 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.783 ' HD3' HG23 ' A' ' 156' ' ' THR . 8.3 pttm -47.04 -39.53 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 167' ' ' LYS . . . -60.01 -30.0 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 166' ' ' CYS . 5.1 m -81.54 -48.15 12.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.645 ' CD1' ' HB1' ' A' ' 158' ' ' ALA . 1.2 t80 -58.35 -33.39 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.19 -62.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 173' ' ' ASN . 0.8 OUTLIER -47.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 172' ' ' LYS . 7.9 m-20 -39.42 -38.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.6 m-85 -122.08 58.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.28 -147.33 21.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -166.7 62.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.45 49.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -164.44 95.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -65.29 -177.87 6.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -145.47 -52.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.744 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 110.64 160.03 17.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -143.67 152.8 41.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 0.783 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -145.04 -121.78 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.573 1.171 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 61.24 120.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 187' ' ' ALA . . . 163.58 -144.07 9.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 186' ' ' GLY . . . 74.13 -62.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 189' ' ' ILE . 0.1 OUTLIER 74.63 -65.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 188' ' ' LEU . 0.9 OUTLIER 49.34 -177.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -178.36 174.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.23 105.89 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.974 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.474 0.178 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.6 5.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -170.26 167.21 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -155.49 161.16 40.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 107.969 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.12 -157.46 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.46 -179.89 48.79 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.87 -178.09 45.41 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD2' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -112.84 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.63 127.23 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . 38.1 t -84.23 108.41 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.35 61.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 30' ' ' PHE . 2.1 t -96.47 -68.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.531 ' N ' HG12 ' A' ' 12' ' ' VAL . 24.6 p -77.82 -24.3 48.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 3.1 tm0? 83.7 26.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.31 144.89 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 156.89 15.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.057 HG22 ' NE2' ' A' ' 31' ' ' HIS . 43.9 t -130.72 161.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.412 ' N ' HG12 ' A' ' 17' ' ' VAL . 78.6 m-85 -95.02 176.09 6.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 76.7 t80 -83.48 69.69 10.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . 176.67 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.1 mm-40 -62.84 -44.15 96.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -40.42 124.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.78 HG11 ' HD2' ' A' ' 35' ' ' PHE . 57.3 t -118.21 117.19 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.05 126.14 30.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.79 138.71 44.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.6 ' O ' HG11 ' A' ' 51' ' ' VAL . 8.7 mm-40 -39.16 105.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.94 -56.02 0.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.77 177.53 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.434 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 87.5 p -113.49 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.58 164.67 26.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.057 ' NE2' HG22 ' A' ' 17' ' ' VAL . 38.6 m80 -57.42 162.35 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 -58.64 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.73 -30.11 71.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 m -57.82 -42.84 85.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.881 ' CE1' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -64.54 75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.845 HD11 ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 41.9 t -42.07 114.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.29 13.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' CG2' ' CD1' ' A' ' 57' ' ' TYR . 21.1 t -112.62 -72.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 p -75.34 -20.6 58.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.339 179.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.845 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER 78.03 22.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 134.97 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.412 ' N ' HD12 ' A' ' 36' ' ' LEU . 13.6 m120 -60.78 142.48 55.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.938 HD22 HG23 ' A' ' 49' ' ' VAL . 2.9 mt -112.58 157.17 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.93 174.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 47' ' ' THR . 23.8 m -88.4 41.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -128.77 8.19 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG23 HD22 ' A' ' 44' ' ' LEU . 9.2 p -80.26 155.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -139.59 164.46 29.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' O ' ' A' ' 26' ' ' GLU . 4.4 t -120.01 173.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.575 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -162.51 169.71 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.608 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.71 100.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 43.73 52.47 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -163.95 162.24 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 36' ' ' LEU . 3.0 pt -127.11 128.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.636 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 17.8 m-85 -136.21 154.18 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 44' ' ' LEU . 14.4 p -90.41 158.68 16.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -39.26 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 59' ' ' LYS . 49.7 m -33.65 -68.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 m -41.98 -54.19 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.3 t80 -43.72 -64.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.22 -16.35 41.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -73.65 -52.51 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -53.83 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -61.44 -40.12 93.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -37.73 98.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.84 5.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.24 168.71 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.21 172.54 42.74 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.496 1.122 . . . . 0.0 111.055 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.75 176.72 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.02 168.29 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.47 176.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.38 175.71 47.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.57 170.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.39 177.82 45.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -177.01 175.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.42 169.47 42.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -172.38 147.06 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -168.45 152.65 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.25 162.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t -172.3 165.02 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 t70 177.17 163.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 175.63 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.73 152.23 5.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 179.29 169.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.5 p -177.9 169.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 175.21 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.7 158.84 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.6 tt -173.4 171.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 175.01 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -174.21 166.92 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.83 171.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -178.48 171.29 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.94 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.3 169.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -176.43 169.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.65 174.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.98 148.91 19.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.79 5.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -168.45 161.11 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -163.48 99.83 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.56 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -157.28 167.74 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -177.01 170.95 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -178.84 170.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.9 167.37 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.3 ptm -162.54 170.52 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.71 175.74 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -166.19 171.31 12.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -144.55 164.6 30.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.1 t -147.81 137.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.6 166.41 36.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 178.37 -159.34 24.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 m 66.96 138.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -167.26 -156.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 124' ' ' ALA . . . -126.25 170.71 18.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.504 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . 36.7 t -100.12 108.29 51.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 138' ' ' TRP . 18.5 Cg_endo -74.98 0.21 9.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -93.0 -69.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.505 ' SG ' ' CE1' ' A' ' 139' ' ' HIS . 14.1 p -77.33 -33.74 55.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.133 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.38 23.43 16.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 125' ' ' VAL . 3.3 mt-30 -112.6 135.83 52.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 117' ' ' GLY . . . -53.49 145.93 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.728 HG12 ' HG3' ' A' ' 130' ' ' LYS . 59.3 t -133.25 129.81 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.95 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 128' ' ' ALA . . . -72.25 -168.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 127' ' ' ALA . . . -40.47 147.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 72.88 56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.728 ' HG3' HG12 ' A' ' 125' ' ' VAL . 3.7 ttpt -129.51 101.05 5.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 138' ' ' TRP . 7.3 p -93.18 148.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 130' ' ' LYS . 4.3 mp -127.29 115.36 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.86 20.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 159' ' ' ASP . . . 45.49 57.03 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 40.99 42.05 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -146.01 162.05 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' CD1' ' A' ' 138' ' ' TRP . 0.2 OUTLIER -120.97 141.45 50.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' TRP . . . . . 1.024 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -161.35 171.06 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.505 ' CE1' ' SG ' ' A' ' 121' ' ' CYS . 40.6 m80 -69.07 128.0 35.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -67.12 70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 139' ' ' HIS . 6.0 p 166.55 -50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.968 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' PHE . 3.6 p -60.95 -27.6 68.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 1.011 ' CE1' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.05 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.59 137.09 45.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' CYS . . . . . 0.717 ' HB2' HD21 ' A' ' 152' ' ' LEU . 34.0 t -64.32 128.74 37.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.07 35.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.512 ' HB2' ' CD1' ' A' ' 165' ' ' TYR . 0.9 OUTLIER -135.84 -46.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 10.3 p -109.58 -17.25 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 72.58 16.11 77.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.85 133.46 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 t -68.03 121.5 16.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 145' ' ' CYS . 0.2 OUTLIER -88.99 -173.3 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.1 71.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.05 53.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 155' ' ' THR . 21.3 m -132.92 56.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 167' ' ' LYS . 94.8 m 49.44 91.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 157' ' ' LEU . 0.2 OUTLIER -99.66 127.83 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 157' ' ' LEU . . . -84.47 154.16 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.836 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -131.29 95.34 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 161' ' ' ASP . 0.0 OUTLIER -95.62 99.58 11.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 160' ' ' LYS . 13.8 m-20 38.57 70.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.08 -48.99 4.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 165' ' ' TYR . 30.9 mm-40 -53.1 149.08 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 1.011 HD13 ' CE1' ' A' ' 143' ' ' PHE . 1.2 pt -127.25 134.67 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 163' ' ' GLU . 42.7 m-85 -143.36 -177.01 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 169' ' ' CYS . 30.4 p -96.85 144.13 27.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HB3' HG22 ' A' ' 156' ' ' THR . 2.0 pttt -46.11 -40.71 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -58.15 -31.37 65.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 166' ' ' CYS . 4.1 m -80.39 -47.78 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' TYR . . . . . 0.472 ' O ' ' CD2' ' A' ' 174' ' ' PHE . 1.7 t80 -57.77 -32.59 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 174' ' ' PHE . . . -80.04 -63.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.3 -61.94 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.459 ' CG ' ' CE1' ' A' ' 174' ' ' PHE . 51.6 t-20 -38.76 -38.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 170' ' ' TYR . 1.8 m-85 -123.73 58.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -92.82 -169.34 39.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.54 5.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.84 65.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.45 108.58 0.61 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 92.67 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 147.8 93.08 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -158.06 109.42 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -177.2 142.78 5.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.41 170.36 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 161.02 77.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -89.37 -61.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 76.45 168.65 27.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.466 ' O ' HD22 ' A' ' 188' ' ' LEU . . . -118.84 150.83 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 187' ' ' ALA . 4.1 mm? -124.34 68.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -42.81 119.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.83 117.04 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -58.59 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 194' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_